5-chloro-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one

C9H12ClN3O2 — CID 136976614

IUPAC5-chloro-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC1OCCC1Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H12ClN3O2/c1-5-6(2-3-15-5)13-8-7(10)9(14)12-4-11-8/h4-6H,2-3H2,1H3,(H2,11,12,13,14)
InChIKeyUBTNHGFTZCCLQG-UHFFFAOYSA-N
MW229.67 g/mol
LogP1.01
Rot. Bonds2

About 5-chloro-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one

5-chloro-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136976614) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 5-chloro-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136976614
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name5-chloro-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC1OCCC1Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H12ClN3O2/c1-5-6(2-3-15-5)13-8-7(10)9(14)12-4-11-8/h4-6H,2-3H2,1H3,(H2,11,12,13,14)
InChIKeyUBTNHGFTZCCLQG-UHFFFAOYSA-N
XLogP1.01
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-[(2-methyloxolan-3-yl)amino]-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

Related Compounds

5-chloro-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696627
5-chloro-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696637
5-chloro-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136713902
5-chloro-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136785541
5-chloro-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820292
5-chloro-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one
CID 136852194
5-chloro-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136857179
5-chloro-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136868274
5-chloro-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136870657
5-chloro-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one
CID 136900912
5-chloro-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905791
5-iodo-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136957044

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one (CID 136976614) is 5-chloro-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one is CC1OCCC1Nc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is UBTNHGFTZCCLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-5-6(2-3-15-5)13-8-7(10)9(14)12-4-11-8/h4-6H,2-3H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-chloro-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 229.67 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).