2-[6-[(1-benzylimidazol-2-yl)methyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

C23H24N6O — CID 137267785

IUPAC2-[6-[(1-benzylimidazol-2-yl)methyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(N(C)Cc3nccn3Cc3ccccc3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C23H24N6O/c1-16-17(2)26-22(27-23(16)30)19-9-10-20(25-13-19)28(3)15-21-24-11-12-29(21)14-18-7-5-4-6-8-18/h4-13H,14-15H2,1-3H3,(H,26,27,30)
InChIKeyNYFOQUIXOKFMPH-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.33
Rot. Bonds6

About 2-[6-[(1-benzylimidazol-2-yl)methyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[6-[(1-benzylimidazol-2-yl)methyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 137267785) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-[6-[(1-benzylimidazol-2-yl)methyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-[(1-benzylimidazol-2-yl)methyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID137267785
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name2-[6-[(1-benzylimidazol-2-yl)methyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(N(C)Cc3nccn3Cc3ccccc3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C23H24N6O/c1-16-17(2)26-22(27-23(16)30)19-9-10-20(25-13-19)28(3)15-21-24-11-12-29(21)14-18-7-5-4-6-8-18/h4-13H,14-15H2,1-3H3,(H,26,27,30)
InChIKeyNYFOQUIXOKFMPH-UHFFFAOYSA-N
XLogP3.33
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(1-benzylimidazol-2-yl)methyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-[(1-benzylimidazol-2-yl)methyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 137267785) is 2-[6-[(1-benzylimidazol-2-yl)methyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-[(1-benzylimidazol-2-yl)methyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-[(1-benzylimidazol-2-yl)methyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(-c2ccc(N(C)Cc3nccn3Cc3ccccc3)nc2)[nH]c(=O)c1C.
What is the InChIKey of 2-[6-[(1-benzylimidazol-2-yl)methyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is NYFOQUIXOKFMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-16-17(2)26-22(27-23(16)30)19-9-10-20(25-13-19)28(3)15-21-24-11-12-29(21)14-18-7-5-4-6-8-18/h4-13H,14-15H2,1-3H3,(H,26,27,30).
What are the key properties of 2-[6-[(1-benzylimidazol-2-yl)methyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[6-[(1-benzylimidazol-2-yl)methyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 400.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(1-benzylimidazol-2-yl)methyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137267785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).