1,3-dimethyl-5-[1-(pyrimidin-5-ylmethyl)imidazol-2-yl]pyridin-2-one

C15H15N5O — CID 134316214

IUPAC1,3-dimethyl-5-[1-(pyrimidin-5-ylmethyl)imidazol-2-yl]pyridin-2-one
SMILESCc1cc(-c2nccn2Cc2cncnc2)cn(C)c1=O
InChIInChI=1S/C15H15N5O/c1-11-5-13(9-19(2)15(11)21)14-18-3-4-20(14)8-12-6-16-10-17-7-12/h3-7,9-10H,8H2,1-2H3
InChIKeyBPLHQRWBSDFJDM-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.40
Rot. Bonds3

About 1,3-dimethyl-5-[1-(pyrimidin-5-ylmethyl)imidazol-2-yl]pyridin-2-one

1,3-dimethyl-5-[1-(pyrimidin-5-ylmethyl)imidazol-2-yl]pyridin-2-one (PubChem CID 134316214) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1,3-dimethyl-5-[1-(pyrimidin-5-ylmethyl)imidazol-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[1-(pyrimidin-5-ylmethyl)imidazol-2-yl]pyridin-2-one
PubChem CID134316214
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1,3-dimethyl-5-[1-(pyrimidin-5-ylmethyl)imidazol-2-yl]pyridin-2-one
SMILESCc1cc(-c2nccn2Cc2cncnc2)cn(C)c1=O
InChIInChI=1S/C15H15N5O/c1-11-5-13(9-19(2)15(11)21)14-18-3-4-20(14)8-12-6-16-10-17-7-12/h3-7,9-10H,8H2,1-2H3
InChIKeyBPLHQRWBSDFJDM-UHFFFAOYSA-N
XLogP1.40
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[1-(pyrimidin-5-ylmethyl)imidazol-2-yl]pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-[1-(pyrimidin-5-ylmethyl)imidazol-2-yl]pyridin-2-one (CID 134316214) is 1,3-dimethyl-5-[1-(pyrimidin-5-ylmethyl)imidazol-2-yl]pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[1-(pyrimidin-5-ylmethyl)imidazol-2-yl]pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-[1-(pyrimidin-5-ylmethyl)imidazol-2-yl]pyridin-2-one is Cc1cc(-c2nccn2Cc2cncnc2)cn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[1-(pyrimidin-5-ylmethyl)imidazol-2-yl]pyridin-2-one?
The InChIKey is BPLHQRWBSDFJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-11-5-13(9-19(2)15(11)21)14-18-3-4-20(14)8-12-6-16-10-17-7-12/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[1-(pyrimidin-5-ylmethyl)imidazol-2-yl]pyridin-2-one?
1,3-dimethyl-5-[1-(pyrimidin-5-ylmethyl)imidazol-2-yl]pyridin-2-one has a molecular weight of 281.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[1-(pyrimidin-5-ylmethyl)imidazol-2-yl]pyridin-2-one is sourced from PubChem (CID 134316214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).