4-amino-1-[(3S,4S)-3,4-bis(hydroxymethyl)cyclopentyl]pyrimidin-2-one

C11H17N3O3 — CID 6481645

IUPAC4-amino-1-[(3S,4S)-3,4-bis(hydroxymethyl)cyclopentyl]pyrimidin-2-one
SMILESNc1ccn(C2C[C@H](CO)[C@@H](CO)C2)c(=O)n1
InChIInChI=1S/C11H17N3O3/c12-10-1-2-14(11(17)13-10)9-3-7(5-15)8(4-9)6-16/h1-2,7-9,15-16H,3-6H2,(H2,12,13,17)/t7-,8-/m1/s1
InChIKeyHEPOOHYYYXJRKY-HTQZYQBOSA-N
MW239.27 g/mol
LogP-0.62
Rot. Bonds3

About 4-amino-1-[(3S,4S)-3,4-bis(hydroxymethyl)cyclopentyl]pyrimidin-2-one

4-amino-1-[(3S,4S)-3,4-bis(hydroxymethyl)cyclopentyl]pyrimidin-2-one (PubChem CID 6481645) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-amino-1-[(3S,4S)-3,4-bis(hydroxymethyl)cyclopentyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(3S,4S)-3,4-bis(hydroxymethyl)cyclopentyl]pyrimidin-2-one
PubChem CID6481645
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-amino-1-[(3S,4S)-3,4-bis(hydroxymethyl)cyclopentyl]pyrimidin-2-one
SMILESNc1ccn(C2C[C@H](CO)[C@@H](CO)C2)c(=O)n1
InChIInChI=1S/C11H17N3O3/c12-10-1-2-14(11(17)13-10)9-3-7(5-15)8(4-9)6-16/h1-2,7-9,15-16H,3-6H2,(H2,12,13,17)/t7-,8-/m1/s1
InChIKeyHEPOOHYYYXJRKY-HTQZYQBOSA-N
XLogP-0.62
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-1-[(3S,4S)-3,4-bis(hydroxymethyl)cyclopentyl]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

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(3S,4S)-3,4-bis(hydroxymethyl)cyclopentyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(3S,4S)-3,4-bis(hydroxymethyl)cyclopentyl]pyrimidin-2-one (CID 6481645) is 4-amino-1-[(3S,4S)-3,4-bis(hydroxymethyl)cyclopentyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(3S,4S)-3,4-bis(hydroxymethyl)cyclopentyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(3S,4S)-3,4-bis(hydroxymethyl)cyclopentyl]pyrimidin-2-one is Nc1ccn(C2C[C@H](CO)[C@@H](CO)C2)c(=O)n1.
What is the InChIKey of 4-amino-1-[(3S,4S)-3,4-bis(hydroxymethyl)cyclopentyl]pyrimidin-2-one?
The InChIKey is HEPOOHYYYXJRKY-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H17N3O3/c12-10-1-2-14(11(17)13-10)9-3-7(5-15)8(4-9)6-16/h1-2,7-9,15-16H,3-6H2,(H2,12,13,17)/t7-,8-/m1/s1.
What are the key properties of 4-amino-1-[(3S,4S)-3,4-bis(hydroxymethyl)cyclopentyl]pyrimidin-2-one?
4-amino-1-[(3S,4S)-3,4-bis(hydroxymethyl)cyclopentyl]pyrimidin-2-one has a molecular weight of 239.27 g/mol, XLogP of -0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(3S,4S)-3,4-bis(hydroxymethyl)cyclopentyl]pyrimidin-2-one is sourced from PubChem (CID 6481645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).