4-(5-methyl-1H-imidazol-2-yl)-6-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine

C19H22N6 — CID 110099473

IUPAC4-(5-methyl-1H-imidazol-2-yl)-6-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine
SMILESCc1cnc(-c2cc(CC3CCCN(c4ccccn4)C3)ncn2)[nH]1
InChIInChI=1S/C19H22N6/c1-14-11-21-19(24-14)17-10-16(22-13-23-17)9-15-5-4-8-25(12-15)18-6-2-3-7-20-18/h2-3,6-7,10-11,13,15H,4-5,8-9,12H2,1H3,(H,21,24)
InChIKeyCUPMXJRSWSAESL-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.03
Rot. Bonds4

About 4-(5-methyl-1H-imidazol-2-yl)-6-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine

4-(5-methyl-1H-imidazol-2-yl)-6-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine (PubChem CID 110099473) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 4-(5-methyl-1H-imidazol-2-yl)-6-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine.

Molecular Properties

Compound Name4-(5-methyl-1H-imidazol-2-yl)-6-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine
PubChem CID110099473
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name4-(5-methyl-1H-imidazol-2-yl)-6-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine
SMILESCc1cnc(-c2cc(CC3CCCN(c4ccccn4)C3)ncn2)[nH]1
InChIInChI=1S/C19H22N6/c1-14-11-21-19(24-14)17-10-16(22-13-23-17)9-15-5-4-8-25(12-15)18-6-2-3-7-20-18/h2-3,6-7,10-11,13,15H,4-5,8-9,12H2,1H3,(H,21,24)
InChIKeyCUPMXJRSWSAESL-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-methyl-1H-imidazol-2-yl)-6-[[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]methyl]pyrimidine
CID 124959054
4-[(1-benzylpiperidin-4-yl)methyl]-6-(5-methyl-1H-imidazol-2-yl)pyrimidine
CID 110099477
2-(5-methyl-1H-imidazol-2-yl)-5-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazine
CID 110099748
4-methyl-5-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099476
N,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide
CID 110099457
6-[[(3R)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridazin-3-amine
CID 95847067
4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 110099460
(2-benzyl-4-pyridinyl)-[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 110152249
4-methyl-6-[3-(pyrazin-2-ylmethyl)piperidin-1-yl]pyrimidine
CID 110270901
4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 124995645
4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 133279604
2-[(3R)-3-(pyrazin-2-ylmethyl)piperidin-1-yl]pyrazine
CID 95840910

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1H-imidazol-2-yl)-6-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine?
The IUPAC name of 4-(5-methyl-1H-imidazol-2-yl)-6-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine (CID 110099473) is 4-(5-methyl-1H-imidazol-2-yl)-6-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine.
What is the SMILES notation for 4-(5-methyl-1H-imidazol-2-yl)-6-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine?
The canonical SMILES for 4-(5-methyl-1H-imidazol-2-yl)-6-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine is Cc1cnc(-c2cc(CC3CCCN(c4ccccn4)C3)ncn2)[nH]1.
What is the InChIKey of 4-(5-methyl-1H-imidazol-2-yl)-6-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine?
The InChIKey is CUPMXJRSWSAESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-14-11-21-19(24-14)17-10-16(22-13-23-17)9-15-5-4-8-25(12-15)18-6-2-3-7-20-18/h2-3,6-7,10-11,13,15H,4-5,8-9,12H2,1H3,(H,21,24).
What are the key properties of 4-(5-methyl-1H-imidazol-2-yl)-6-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine?
4-(5-methyl-1H-imidazol-2-yl)-6-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine has a molecular weight of 334.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-imidazol-2-yl)-6-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine is sourced from PubChem (CID 110099473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).