[(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methyl dihydrogen phosphite

C11H13ClN5O3P — CID 156694801

IUPAC[(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methyl dihydrogen phosphite
SMILESNc1nc(Cl)c2ncn([C@H]3C=C[C@@H](COP(O)O)C3)c2n1
InChIInChI=1S/C11H13ClN5O3P/c12-9-8-10(16-11(13)15-9)17(5-14-8)7-2-1-6(3-7)4-20-21(18)19/h1-2,5-7,18-19H,3-4H2,(H2,13,15,16)/t6-,7+/m1/s1
InChIKeyGLFKVEDLSVPELX-RQJHMYQMSA-N
MW329.68 g/mol
LogP1.41
Rot. Bonds4

About [(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methyl dihydrogen phosphite

[(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methyl dihydrogen phosphite (PubChem CID 156694801) has the molecular formula C11H13ClN5O3P and a molecular weight of 329.68 g/mol. Its IUPAC name is [(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methyl dihydrogen phosphite.

Molecular Properties

Compound Name[(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methyl dihydrogen phosphite
PubChem CID156694801
Molecular FormulaC11H13ClN5O3P
Molecular Weight329.68 g/mol
Exact Mass329.04
IUPAC Name[(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methyl dihydrogen phosphite
SMILESNc1nc(Cl)c2ncn([C@H]3C=C[C@@H](COP(O)O)C3)c2n1
InChIInChI=1S/C11H13ClN5O3P/c12-9-8-10(16-11(13)15-9)17(5-14-8)7-2-1-6(3-7)4-20-21(18)19/h1-2,5-7,18-19H,3-4H2,(H2,13,15,16)/t6-,7+/m1/s1
InChIKeyGLFKVEDLSVPELX-RQJHMYQMSA-N
XLogP1.41
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.68
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methyl dihydrogen phosphite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,4S)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methyl methyl carbonate
CID 10914291
2-[(1R,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]ethyl acetate
CID 101026740
[(1S,4R)-4-(6-chloro-2-methylpurin-9-yl)cyclopent-2-en-1-yl]methyl acetate
CID 59017603
2-[[[(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methoxy-phenoxyphosphoryl]-propan-2-ylamino]propanoic acid
CID 174212985
[(1R,4S)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 10243640
6-ethenyl-9-[(1R,4S)-4-(hydroperoxymethyl)cyclopent-2-en-1-yl]purin-2-amine
CID 156801966
2-[(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]propanoic acid
CID 57055659
[[[[(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methoxy-hydroxyphosphinothioyl]oxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;N,N-diethylethanamine
CID 11578325
2-amino-9-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]purine-6-carboxylic acid
CID 156545301
methyl (2S)-2-[[[(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methoxy-(4-bromophenoxy)phosphoryl]amino]propanoate
CID 153397061
bis[[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl] dodecanedioate
CID 90667035
bis[[(1R,4S)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl] nonanedioate
CID 102224483

Frequently Asked Questions

What is the IUPAC name of [(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methyl dihydrogen phosphite?
The IUPAC name of [(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methyl dihydrogen phosphite (CID 156694801) is [(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methyl dihydrogen phosphite.
What is the SMILES notation for [(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methyl dihydrogen phosphite?
The canonical SMILES for [(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methyl dihydrogen phosphite is Nc1nc(Cl)c2ncn([C@H]3C=C[C@@H](COP(O)O)C3)c2n1.
What is the InChIKey of [(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methyl dihydrogen phosphite?
The InChIKey is GLFKVEDLSVPELX-RQJHMYQMSA-N. The full InChI is InChI=1S/C11H13ClN5O3P/c12-9-8-10(16-11(13)15-9)17(5-14-8)7-2-1-6(3-7)4-20-21(18)19/h1-2,5-7,18-19H,3-4H2,(H2,13,15,16)/t6-,7+/m1/s1.
What are the key properties of [(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methyl dihydrogen phosphite?
[(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methyl dihydrogen phosphite has a molecular weight of 329.68 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methyl dihydrogen phosphite is sourced from PubChem (CID 156694801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).