1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one

C12H15ClN4O — CID 80663789

IUPAC1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one
SMILESCc1cc(Cl)nc(Cn2ccn(C(C)C)c2=O)n1
InChIInChI=1S/C12H15ClN4O/c1-8(2)17-5-4-16(12(17)18)7-11-14-9(3)6-10(13)15-11/h4-6,8H,7H2,1-3H3
InChIKeyRGEPNVAKVSPXEG-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.03
Rot. Bonds3

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

1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one (PubChem CID 80663789) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one
PubChem CID80663789
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one
SMILESCc1cc(Cl)nc(Cn2ccn(C(C)C)c2=O)n1
InChIInChI=1S/C12H15ClN4O/c1-8(2)17-5-4-16(12(17)18)7-11-14-9(3)6-10(13)15-11/h4-6,8H,7H2,1-3H3
InChIKeyRGEPNVAKVSPXEG-UHFFFAOYSA-N
XLogP2.03
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one (CID 80663789) is 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one is Cc1cc(Cl)nc(Cn2ccn(C(C)C)c2=O)n1.
What is the InChIKey of 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one?
The InChIKey is RGEPNVAKVSPXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-8(2)17-5-4-16(12(17)18)7-11-14-9(3)6-10(13)15-11/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one?
1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one has a molecular weight of 266.73 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 80663789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).