4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-iodo-1H-pyrimidin-6-one

C11H16IN3O2 — CID 136957003

IUPAC4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC2(CO)CCCC2)c1I
InChIInChI=1S/C11H16IN3O2/c12-8-9(14-7-15-10(8)17)13-5-11(6-16)3-1-2-4-11/h7,16H,1-6H2,(H2,13,14,15,17)
InChIKeyQJZJEYUFKOKRJZ-UHFFFAOYSA-N
MW349.17 g/mol
LogP1.34
Rot. Bonds4

About 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-iodo-1H-pyrimidin-6-one

4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136957003) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136957003
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC Name4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC2(CO)CCCC2)c1I
InChIInChI=1S/C11H16IN3O2/c12-8-9(14-7-15-10(8)17)13-5-11(6-16)3-1-2-4-11/h7,16H,1-6H2,(H2,13,14,15,17)
InChIKeyQJZJEYUFKOKRJZ-UHFFFAOYSA-N
XLogP1.34
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-iodo-1H-pyrimidin-6-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-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-iodo-1H-pyrimidin-6-one (CID 136957003) is 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(NCC2(CO)CCCC2)c1I.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is QJZJEYUFKOKRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c12-8-9(14-7-15-10(8)17)13-5-11(6-16)3-1-2-4-11/h7,16H,1-6H2,(H2,13,14,15,17).
What are the key properties of 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-iodo-1H-pyrimidin-6-one?
4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 349.17 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136957003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).