5-chloro-4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one

C10H16ClN3O2 — CID 136975425

IUPAC5-chloro-4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one
SMILESCCC(CC)(CO)Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O2/c1-3-10(4-2,5-15)14-8-7(11)9(16)13-6-12-8/h6,15H,3-5H2,1-2H3,(H2,12,13,14,16)
InChIKeyFGVUWZMWYRCANE-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.39
Rot. Bonds5

About 5-chloro-4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one

5-chloro-4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one (PubChem CID 136975425) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 5-chloro-4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one
PubChem CID136975425
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name5-chloro-4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one
SMILESCCC(CC)(CO)Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O2/c1-3-10(4-2,5-15)14-8-7(11)9(16)13-6-12-8/h6,15H,3-5H2,1-2H3,(H2,12,13,14,16)
InChIKeyFGVUWZMWYRCANE-UHFFFAOYSA-N
XLogP1.39
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-[3-(hydroxymethyl)pentan-3-ylamino]-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 5-chloro-4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one (CID 136975425) is 5-chloro-4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one is CCC(CC)(CO)Nc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one?
The InChIKey is FGVUWZMWYRCANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-3-10(4-2,5-15)14-8-7(11)9(16)13-6-12-8/h6,15H,3-5H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 5-chloro-4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one?
5-chloro-4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one has a molecular weight of 245.71 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).