6-chloro-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one

C10H11ClN4O — CID 114582023

IUPAC6-chloro-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
SMILESCn1ccnc1CCn1cnc(Cl)cc1=O
InChIInChI=1S/C10H11ClN4O/c1-14-5-3-12-9(14)2-4-15-7-13-8(11)6-10(15)16/h3,5-7H,2,4H2,1H3
InChIKeyNDPHRMGUNOSCDY-UHFFFAOYSA-N
MW238.68 g/mol
LogP0.87
Rot. Bonds3

About 6-chloro-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one

6-chloro-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one (PubChem CID 114582023) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 6-chloro-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
PubChem CID114582023
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name6-chloro-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
SMILESCn1ccnc1CCn1cnc(Cl)cc1=O
InChIInChI=1S/C10H11ClN4O/c1-14-5-3-12-9(14)2-4-15-7-13-8(11)6-10(15)16/h3,5-7H,2,4H2,1H3
InChIKeyNDPHRMGUNOSCDY-UHFFFAOYSA-N
XLogP0.87
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
CID 114585109
6-chloro-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one
CID 114582317
1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]imidazole
CID 114531881
6-chloro-3-(4-hydroxybutyl)pyrimidin-4-one
CID 114582214
6-chloro-3-(4-methoxybutyl)pyrimidin-4-one
CID 114582170
[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]methanamine
CID 114528906
6-chloro-3-[(3,5-dimethylphenyl)methyl]pyrimidin-4-one
CID 114582049
6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
CID 114582136
5,6-dichloro-3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one
CID 114583074
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-5-amine
CID 55080035
3,5-dibromo-1-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-one
CID 114531001

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one (CID 114582023) is 6-chloro-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one is Cn1ccnc1CCn1cnc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one?
The InChIKey is NDPHRMGUNOSCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-14-5-3-12-9(14)2-4-15-7-13-8(11)6-10(15)16/h3,5-7H,2,4H2,1H3.
What are the key properties of 6-chloro-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one?
6-chloro-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one has a molecular weight of 238.68 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 114582023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).