2-methyl-5-propyl-4-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine

C22H28N6 — CID 72900364

IUPAC2-methyl-5-propyl-4-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
SMILESCCCc1cnc(C)nc1N1CCC(c2nccn2Cc2cccnc2)CC1
InChIInChI=1S/C22H28N6/c1-3-5-20-15-25-17(2)26-22(20)27-11-7-19(8-12-27)21-24-10-13-28(21)16-18-6-4-9-23-14-18/h4,6,9-10,13-15,19H,3,5,7-8,11-12,16H2,1-2H3
InChIKeyWUUQFFWDLFOWMI-UHFFFAOYSA-N
MW376.51 g/mol
LogP3.76
Rot. Bonds6

About 2-methyl-5-propyl-4-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine

2-methyl-5-propyl-4-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine (PubChem CID 72900364) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is 2-methyl-5-propyl-4-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-propyl-4-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
PubChem CID72900364
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC Name2-methyl-5-propyl-4-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
SMILESCCCc1cnc(C)nc1N1CCC(c2nccn2Cc2cccnc2)CC1
InChIInChI=1S/C22H28N6/c1-3-5-20-15-25-17(2)26-22(20)27-11-7-19(8-12-27)21-24-10-13-28(21)16-18-6-4-9-23-14-18/h4,6,9-10,13-15,19H,3,5,7-8,11-12,16H2,1-2H3
InChIKeyWUUQFFWDLFOWMI-UHFFFAOYSA-N
XLogP3.76
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethyl-4-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 70721028
2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 72933428
2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 70725155
(2-propyl-1,3-thiazol-4-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72845217
4-[[2-[(3S)-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97282594
5-methyl-2-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 70776652
N,N-dimethyl-2-[2-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
CID 72854865
(5-methyl-1H-imidazol-2-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72870005
5-ethyl-2-methyl-4-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97141189
(2-ethyl-4-pyridinyl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72855314
4,5-dimethyl-6-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97130207
N-[[6-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridinyl]methyl]acetamide
CID 72852570

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propyl-4-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-methyl-5-propyl-4-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine (CID 72900364) is 2-methyl-5-propyl-4-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-methyl-5-propyl-4-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-methyl-5-propyl-4-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine is CCCc1cnc(C)nc1N1CCC(c2nccn2Cc2cccnc2)CC1.
What is the InChIKey of 2-methyl-5-propyl-4-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
The InChIKey is WUUQFFWDLFOWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6/c1-3-5-20-15-25-17(2)26-22(20)27-11-7-19(8-12-27)21-24-10-13-28(21)16-18-6-4-9-23-14-18/h4,6,9-10,13-15,19H,3,5,7-8,11-12,16H2,1-2H3.
What are the key properties of 2-methyl-5-propyl-4-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
2-methyl-5-propyl-4-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine has a molecular weight of 376.51 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propyl-4-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 72900364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).