Pyrimidine-4-carboxylic acid methyl ester - CAS 2450-08-0
Catalog: |
BB018506 |
Product Name: |
Pyrimidine-4-carboxylic acid methyl ester |
CAS: |
2450-08-0 |
Synonyms: |
Methyl 4-pyrimidine carboxylate; 4-Pyrimidinecarboxylic acid, methyl ester |
IUPAC Name: | methyl pyrimidine-4-carboxylate |
Description: | Pyrimidine-4-carboxylic acid methyl ester (CAS# 2450-08-0) is a useful research chemical. |
Molecular Weight: | 138.12 |
Molecular Formula: | C6H6N2O2 |
Canonical SMILES: | COC(=O)C1=NC=NC=C1 |
InChI: | InChI=1S/C6H6N2O2/c1-10-6(9)5-2-3-7-4-8-5/h2-4H,1H3 |
InChI Key: | GXZQHMHLHHUHAM-UHFFFAOYSA-N |
Boiling Point: | 224.0 °C |
Melting Point: | 63-68 °C |
Purity: | ≥ 95 % |
Density: | 1.21 g/cm3 |
MDL: | MFCD00234184 |
LogP: | 0.26320 |
Publication Number | Title | Priority Date |
CN-110963999-A | 2, 3-dihydrobenzofuran amide derivative and application thereof | 20191127 |
CN-110963999-B | 2, 3-dihydrobenzofuran amide derivative and application thereof | 20191127 |
CN-112830928-A | Pyrimido-cyclic derivative and application thereof in medicine | 20191122 |
CN-110540540-B | Method for preparing dihydro [1, 2, 4] triazolo [1, 5-a ] pyrimidine derivatives through catalysis | 20190830 |
TW-202106685-A | Novel phenyl and pyridyl ureas active against the hepatitis b virus (hbv) | 20190430 |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.042927438 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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