4-amino-1-[(1R)-4,4-bis(hydroxymethyl)-2,3-dimethylcyclopent-2-en-1-yl]pyrimidin-2-one

C13H19N3O3 — CID 3013709

IUPAC4-amino-1-[(1R)-4,4-bis(hydroxymethyl)-2,3-dimethylcyclopent-2-en-1-yl]pyrimidin-2-one
SMILESCC1=C(C)C(CO)(CO)C[C@H]1n1ccc(N)nc1=O
InChIInChI=1S/C13H19N3O3/c1-8-9(2)13(6-17,7-18)5-10(8)16-4-3-11(14)15-12(16)19/h3-4,10,17-18H,5-7H2,1-2H3,(H2,14,15,19)/t10-/m1/s1
InChIKeyGXBMDZSWGKYSFC-SNVBAGLBSA-N
MW265.31 g/mol
LogP0.08
Rot. Bonds3

About 4-amino-1-[(1R)-4,4-bis(hydroxymethyl)-2,3-dimethylcyclopent-2-en-1-yl]pyrimidin-2-one

4-amino-1-[(1R)-4,4-bis(hydroxymethyl)-2,3-dimethylcyclopent-2-en-1-yl]pyrimidin-2-one (PubChem CID 3013709) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-amino-1-[(1R)-4,4-bis(hydroxymethyl)-2,3-dimethylcyclopent-2-en-1-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(1R)-4,4-bis(hydroxymethyl)-2,3-dimethylcyclopent-2-en-1-yl]pyrimidin-2-one
PubChem CID3013709
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-amino-1-[(1R)-4,4-bis(hydroxymethyl)-2,3-dimethylcyclopent-2-en-1-yl]pyrimidin-2-one
SMILESCC1=C(C)C(CO)(CO)C[C@H]1n1ccc(N)nc1=O
InChIInChI=1S/C13H19N3O3/c1-8-9(2)13(6-17,7-18)5-10(8)16-4-3-11(14)15-12(16)19/h3-4,10,17-18H,5-7H2,1-2H3,(H2,14,15,19)/t10-/m1/s1
InChIKeyGXBMDZSWGKYSFC-SNVBAGLBSA-N
XLogP0.08
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-1-[(1R)-4,4-bis(hydroxymethyl)-2,3-dimethylcyclopent-2-en-1-yl]pyrimidin-2-one 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

4-amino-1-[4,4-bis(hydroxymethyl)-2-methylcyclopent-2-en-1-yl]pyrimidin-2-one
CID 11482118
4-amino-1-[(3S)-3-amino-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
CID 142192955
4-amino-1-[(2R,4R,5S)-4,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one
CID 25062015
4-amino-1-[(1R,3S,4S)-4-hydroxy-1-(hydroxymethyl)-1-oxo-1λ5-phospholan-3-yl]pyrimidin-2-one
CID 102435004
4-amino-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
CID 100972802
4-amino-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
CID 142192946
4-amino-1-[(2R,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 101384097
4-amino-1-[(2R,3R,4S,5R)-5-ethyl-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 163968388
4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]pyrimidin-2-one
CID 66725496
4-amino-1-[1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidin-2-one
CID 141009241
4-amino-1-[(1S,3R,4R,5S)-5-fluoro-4-hydroxy-3-(hydroxymethyl)-3-methyl-2-oxabicyclo[3.1.0]hexan-6-yl]pyrimidin-2-one
CID 144766969
4-amino-1-[(2R,5R)-5-(hydroxymethyl)-3-methyl-5-phenyl-2H-furan-2-yl]pyrimidin-2-one
CID 3013094

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(1R)-4,4-bis(hydroxymethyl)-2,3-dimethylcyclopent-2-en-1-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(1R)-4,4-bis(hydroxymethyl)-2,3-dimethylcyclopent-2-en-1-yl]pyrimidin-2-one (CID 3013709) is 4-amino-1-[(1R)-4,4-bis(hydroxymethyl)-2,3-dimethylcyclopent-2-en-1-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(1R)-4,4-bis(hydroxymethyl)-2,3-dimethylcyclopent-2-en-1-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(1R)-4,4-bis(hydroxymethyl)-2,3-dimethylcyclopent-2-en-1-yl]pyrimidin-2-one is CC1=C(C)C(CO)(CO)C[C@H]1n1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-[(1R)-4,4-bis(hydroxymethyl)-2,3-dimethylcyclopent-2-en-1-yl]pyrimidin-2-one?
The InChIKey is GXBMDZSWGKYSFC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-9(2)13(6-17,7-18)5-10(8)16-4-3-11(14)15-12(16)19/h3-4,10,17-18H,5-7H2,1-2H3,(H2,14,15,19)/t10-/m1/s1.
What are the key properties of 4-amino-1-[(1R)-4,4-bis(hydroxymethyl)-2,3-dimethylcyclopent-2-en-1-yl]pyrimidin-2-one?
4-amino-1-[(1R)-4,4-bis(hydroxymethyl)-2,3-dimethylcyclopent-2-en-1-yl]pyrimidin-2-one has a molecular weight of 265.31 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(1R)-4,4-bis(hydroxymethyl)-2,3-dimethylcyclopent-2-en-1-yl]pyrimidin-2-one is sourced from PubChem (CID 3013709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).