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

C22H28N6 — CID 97282076

IUPAC2-methyl-4-propyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
SMILESCCCc1cc(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)nc(C)n1
InChIInChI=1S/C22H28N6/c1-3-5-20-14-21(26-17(2)25-20)27-12-4-6-19(16-27)22-24-11-13-28(22)15-18-7-9-23-10-8-18/h7-11,13-14,19H,3-6,12,15-16H2,1-2H3/t19-/m0/s1
InChIKeySOVZMCZROFPXLK-IBGZPJMESA-N
MW376.51 g/mol
LogP3.76
Rot. Bonds6

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

2-methyl-4-propyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine (PubChem CID 97282076) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is 2-methyl-4-propyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-propyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
PubChem CID97282076
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC Name2-methyl-4-propyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
SMILESCCCc1cc(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)nc(C)n1
InChIInChI=1S/C22H28N6/c1-3-5-20-14-21(26-17(2)25-20)27-12-4-6-19(16-27)22-24-11-13-28(22)15-18-7-9-23-10-8-18/h7-11,13-14,19H,3-6,12,15-16H2,1-2H3/t19-/m0/s1
InChIKeySOVZMCZROFPXLK-IBGZPJMESA-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-methyl-4-propyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 72906714
4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine
CID 72857071
4-[[2-[(3S)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97280833
N,N-dimethyl-3-[2-[(3R)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 97209396
2,4,5-trimethyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97123365
2-methylsulfanyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97271296
2-propan-2-yl-6-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 97131130
N,6-dimethyl-2-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 72905200
4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine
CID 70723430
2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 97115819
2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97285685
6-methyl-4-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 97284997

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-methyl-4-propyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine (CID 97282076) is 2-methyl-4-propyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-propyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-propyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine is CCCc1cc(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)nc(C)n1.
What is the InChIKey of 2-methyl-4-propyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
The InChIKey is SOVZMCZROFPXLK-IBGZPJMESA-N. The full InChI is InChI=1S/C22H28N6/c1-3-5-20-14-21(26-17(2)25-20)27-12-4-6-19(16-27)22-24-11-13-28(22)15-18-7-9-23-10-8-18/h7-11,13-14,19H,3-6,12,15-16H2,1-2H3/t19-/m0/s1.
What are the key properties of 2-methyl-4-propyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
2-methyl-4-propyl-6-[(3S)-3-[1-(pyridin-4-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-4-propyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 97282076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).