[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone

C18H18N6O — CID 110131923

IUPAC[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1nc(-c2ncc[nH]2)cc(C2CCN(C(=O)c3ccncc3)C2)n1
InChIInChI=1S/C18H18N6O/c1-12-22-15(10-16(23-12)17-20-7-8-21-17)14-4-9-24(11-14)18(25)13-2-5-19-6-3-13/h2-3,5-8,10,14H,4,9,11H2,1H3,(H,20,21)
InChIKeyZDCGOWNUCXILOZ-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.20
Rot. Bonds3

About [3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone

[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 110131923) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is [3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID110131923
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1nc(-c2ncc[nH]2)cc(C2CCN(C(=O)c3ccncc3)C2)n1
InChIInChI=1S/C18H18N6O/c1-12-22-15(10-16(23-12)17-20-7-8-21-17)14-4-9-24(11-14)18(25)13-2-5-19-6-3-13/h2-3,5-8,10,14H,4,9,11H2,1H3,(H,20,21)
InChIKeyZDCGOWNUCXILOZ-UHFFFAOYSA-N
XLogP2.20
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 124949020
[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 125022364
1-[(3S)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
CID 125014709
[(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
CID 125012241
[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110099532
[(2S)-2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 124964204
[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110110080
[(3R)-3-[6-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 125023182
[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110471318
[(3R)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95867832
[2-(1H-imidazol-2-yl)-4-pyridinyl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone
CID 154858565
[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 110110902

Frequently Asked Questions

What is the IUPAC name of [3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 110131923) is [3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone is Cc1nc(-c2ncc[nH]2)cc(C2CCN(C(=O)c3ccncc3)C2)n1.
What is the InChIKey of [3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is ZDCGOWNUCXILOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-12-22-15(10-16(23-12)17-20-7-8-21-17)14-4-9-24(11-14)18(25)13-2-5-19-6-3-13/h2-3,5-8,10,14H,4,9,11H2,1H3,(H,20,21).
What are the key properties of [3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 334.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 110131923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).