4-(chloromethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one

C11H15ClN2O2 — CID 136773848

IUPAC4-(chloromethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(CCl)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C11H15ClN2O2/c1-16-11(4-2-3-5-11)10-13-8(7-12)6-9(15)14-10/h6H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyAWEYEHLQMMRMBY-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.92
Rot. Bonds3

About 4-(chloromethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one

4-(chloromethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one (PubChem CID 136773848) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(chloromethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
PubChem CID136773848
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name4-(chloromethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(CCl)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C11H15ClN2O2/c1-16-11(4-2-3-5-11)10-13-8(7-12)6-9(15)14-10/h6H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyAWEYEHLQMMRMBY-UHFFFAOYSA-N
XLogP1.92
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-2-(1-methoxycyclopentyl)-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-fluoro-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136773823
4-(chloromethyl)-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 136279398
4-(chloromethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 136288429
4-(chloromethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136288569
4-amino-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 136773806
2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136773811
2-(1-methoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one
CID 136773812
4-tert-butyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 136773813
4-ethyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 136773814
2-(1-methoxycyclopentyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136773839
4-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 136773866
2-(1-methoxycyclopentyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 136773868

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(chloromethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one (CID 136773848) is 4-(chloromethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(chloromethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(chloromethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one is COC1(c2nc(CCl)cc(=O)[nH]2)CCCC1.
What is the InChIKey of 4-(chloromethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The InChIKey is AWEYEHLQMMRMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-16-11(4-2-3-5-11)10-13-8(7-12)6-9(15)14-10/h6H,2-5,7H2,1H3,(H,13,14,15).
What are the key properties of 4-(chloromethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
4-(chloromethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one has a molecular weight of 242.71 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136773848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).