6-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpyrimidin-4-one

C10H10Cl2N4O — CID 114581635

IUPAC6-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1Cc1ncc(Cl)n1C
InChIInChI=1S/C10H10Cl2N4O/c1-6-14-7(11)3-10(17)16(6)5-9-13-4-8(12)15(9)2/h3-4H,5H2,1-2H3
InChIKeyMCGDGJTYGQNLOO-UHFFFAOYSA-N
MW273.12 g/mol
LogP1.64
Rot. Bonds2

About 6-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpyrimidin-4-one

6-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpyrimidin-4-one (PubChem CID 114581635) has the molecular formula C10H10Cl2N4O and a molecular weight of 273.12 g/mol. Its IUPAC name is 6-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpyrimidin-4-one
PubChem CID114581635
Molecular FormulaC10H10Cl2N4O
Molecular Weight273.12 g/mol
Exact Mass272.02
IUPAC Name6-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1Cc1ncc(Cl)n1C
InChIInChI=1S/C10H10Cl2N4O/c1-6-14-7(11)3-10(17)16(6)5-9-13-4-8(12)15(9)2/h3-4H,5H2,1-2H3
InChIKeyMCGDGJTYGQNLOO-UHFFFAOYSA-N
XLogP1.64
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one
CID 79376213
6-chloro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one
CID 114581943
3-butyl-6-chloro-2-methylpyrimidin-4-one
CID 114581815
6-chloro-3-[(4-iodophenyl)methyl]-2-methylpyrimidin-4-one
CID 114581841
3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylimidazole-4-carboxylic acid
CID 65172745
6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one
CID 114581850
6-chloro-3-[3-(dimethylamino)propyl]-2-methylpyrimidin-4-one
CID 114581993
6-chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one
CID 114581824
6-chloro-3-(3-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one
CID 114581801
6-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyrimidin-4-one
CID 114857657
3-[(4-bromothiophen-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-one
CID 114581805
6-chloro-3-(2-ethylbutyl)-2-methylpyrimidin-4-one
CID 114582003

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpyrimidin-4-one (CID 114581635) is 6-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpyrimidin-4-one is Cc1nc(Cl)cc(=O)n1Cc1ncc(Cl)n1C.
What is the InChIKey of 6-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpyrimidin-4-one?
The InChIKey is MCGDGJTYGQNLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4O/c1-6-14-7(11)3-10(17)16(6)5-9-13-4-8(12)15(9)2/h3-4H,5H2,1-2H3.
What are the key properties of 6-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpyrimidin-4-one?
6-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpyrimidin-4-one has a molecular weight of 273.12 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).