4-(1H-imidazol-2-yl)-2-methyl-6-[1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidine

C19H22N6 — CID 110099535

IUPAC4-(1H-imidazol-2-yl)-2-methyl-6-[1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidine
SMILESCc1nc(-c2ncc[nH]2)cc(C2CCCCN2Cc2cccnc2)n1
InChIInChI=1S/C19H22N6/c1-14-23-16(11-17(24-14)19-21-8-9-22-19)18-6-2-3-10-25(18)13-15-5-4-7-20-12-15/h4-5,7-9,11-12,18H,2-3,6,10,13H2,1H3,(H,21,22)
InChIKeyIXGKFPJZXMIPIL-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.30
Rot. Bonds4

About 4-(1H-imidazol-2-yl)-2-methyl-6-[1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidine

4-(1H-imidazol-2-yl)-2-methyl-6-[1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidine (PubChem CID 110099535) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-2-methyl-6-[1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidine.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-2-methyl-6-[1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidine
PubChem CID110099535
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name4-(1H-imidazol-2-yl)-2-methyl-6-[1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidine
SMILESCc1nc(-c2ncc[nH]2)cc(C2CCCCN2Cc2cccnc2)n1
InChIInChI=1S/C19H22N6/c1-14-23-16(11-17(24-14)19-21-8-9-22-19)18-6-2-3-10-25(18)13-15-5-4-7-20-12-15/h4-5,7-9,11-12,18H,2-3,6,10,13H2,1H3,(H,21,22)
InChIKeyIXGKFPJZXMIPIL-UHFFFAOYSA-N
XLogP3.30
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-imidazol-2-yl)-5-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 124992481
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
CID 110256090
[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
N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110255606
5-methyl-3-[1-(pyridin-3-ylmethyl)azepan-2-yl]-1,2-oxazole
CID 110225930
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
4-(1H-imidazol-2-yl)-6-methyl-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine
CID 110110518
4-(1H-imidazol-2-yl)-2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine
CID 110109861
4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
CID 95839904
3-[[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyridine
CID 124992533
2-[(4-methylphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817914

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-2-methyl-6-[1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidine?
The IUPAC name of 4-(1H-imidazol-2-yl)-2-methyl-6-[1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidine (CID 110099535) is 4-(1H-imidazol-2-yl)-2-methyl-6-[1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidine.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-2-methyl-6-[1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidine?
The canonical SMILES for 4-(1H-imidazol-2-yl)-2-methyl-6-[1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidine is Cc1nc(-c2ncc[nH]2)cc(C2CCCCN2Cc2cccnc2)n1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-2-methyl-6-[1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidine?
The InChIKey is IXGKFPJZXMIPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-14-23-16(11-17(24-14)19-21-8-9-22-19)18-6-2-3-10-25(18)13-15-5-4-7-20-12-15/h4-5,7-9,11-12,18H,2-3,6,10,13H2,1H3,(H,21,22).
What are the key properties of 4-(1H-imidazol-2-yl)-2-methyl-6-[1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidine?
4-(1H-imidazol-2-yl)-2-methyl-6-[1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidine has a molecular weight of 334.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-2-methyl-6-[1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidine is sourced from PubChem (CID 110099535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).