(1S,4R)-rel-4-[(2,5-Diamino-6-chloro-4-pyrimidinyl)amino]-2-cyclopentene-1-methanol - CAS 896716-96-4
Catalog: |
BB068247 |
Product Name: |
(1S,4R)-rel-4-[(2,5-Diamino-6-chloro-4-pyrimidinyl)amino]-2-cyclopentene-1-methanol |
CAS: |
896716-96-4 |
Synonyms: |
(1S-cis)-(+/-)-4-[(2,5-Diamino-6-chloro-4-pyrimidinyl)amino]-2-cyclopentene-1-methanol |
IUPAC Name: | [4-[(2,5-diamino-6-chloropyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol |
Description: | Carbovir intermediate. |
Molecular Weight: | 255.7 |
Molecular Formula: | C10H14ClN5O |
Canonical SMILES: | C1C(C=CC1NC2=C(C(=NC(=N2)N)Cl)N)CO |
InChI: | InChI=1S/C10H14ClN5O/c11-8-7(12)9(16-10(13)15-8)14-6-2-1-5(3-6)4-17/h1-2,5-6,17H,3-4,12H2,(H3,13,14,15,16) |
InChI Key: | RNURTQFRFNOOPJ-UHFFFAOYSA-N |
References: | Vince, R., et al. J. Med. Chem., 33, 17 (1990),. |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.0886878 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.0886878 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 110Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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