6-chloro-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one

C11H13ClN4O2 — CID 114585109

IUPAC6-chloro-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
SMILESCOc1c(Cl)ncn(CCc2nccn2C)c1=O
InChIInChI=1S/C11H13ClN4O2/c1-15-6-4-13-8(15)3-5-16-7-14-10(12)9(18-2)11(16)17/h4,6-7H,3,5H2,1-2H3
InChIKeyVGSRMZIRUAQDGI-UHFFFAOYSA-N
MW268.70 g/mol
LogP0.88
Rot. Bonds4

About 6-chloro-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one

6-chloro-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one (PubChem CID 114585109) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is 6-chloro-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
PubChem CID114585109
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name6-chloro-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
SMILESCOc1c(Cl)ncn(CCc2nccn2C)c1=O
InChIInChI=1S/C11H13ClN4O2/c1-15-6-4-13-8(15)3-5-16-7-14-10(12)9(18-2)11(16)17/h4,6-7H,3,5H2,1-2H3
InChIKeyVGSRMZIRUAQDGI-UHFFFAOYSA-N
XLogP0.88
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-3-[(1-ethylimidazol-2-yl)methyl]-5-methoxypyrimidin-4-one
CID 114585107
6-chloro-3-[2-(dimethylamino)ethyl]-5-methoxypyrimidin-4-one
CID 114585412
6-chloro-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
CID 114582023
6-chloro-3-hexyl-5-methoxypyrimidin-4-one
CID 114585335
6-chloro-5-methoxy-3-prop-2-enylpyrimidin-4-one
CID 114585117
5,6-dichloro-3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one
CID 114583074
6-chloro-5-methoxy-3-[(2-methyltetrazol-5-yl)methyl]pyrimidin-4-one
CID 107052078
6-chloro-5-methoxy-3-[2-(4-nitrophenyl)ethyl]pyrimidin-4-one
CID 114585486
6-chloro-3-[(4-chlorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 114585475
4-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114585353
5-bromo-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
CID 114530992
6-chloro-5-methoxy-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one
CID 114585157

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one (CID 114585109) is 6-chloro-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one is COc1c(Cl)ncn(CCc2nccn2C)c1=O.
What is the InChIKey of 6-chloro-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one?
The InChIKey is VGSRMZIRUAQDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c1-15-6-4-13-8(15)3-5-16-7-14-10(12)9(18-2)11(16)17/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 6-chloro-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one?
6-chloro-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one has a molecular weight of 268.70 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 114585109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).