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

C22H28N6 — CID 72906714

IUPAC2-methyl-4-propyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
SMILESCCCc1cc(N2CCCC(c3nccn3Cc3ccccn3)C2)nc(C)n1
InChIInChI=1S/C22H28N6/c1-3-7-19-14-21(26-17(2)25-19)27-12-6-8-18(15-27)22-24-11-13-28(22)16-20-9-4-5-10-23-20/h4-5,9-11,13-14,18H,3,6-8,12,15-16H2,1-2H3
InChIKeyNAXRBDHEJQICOW-UHFFFAOYSA-N
MW376.51 g/mol
LogP3.76
Rot. Bonds6

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

2-methyl-4-propyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine (PubChem CID 72906714) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is 2-methyl-4-propyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-propyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
PubChem CID72906714
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC Name2-methyl-4-propyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
SMILESCCCc1cc(N2CCCC(c3nccn3Cc3ccccn3)C2)nc(C)n1
InChIInChI=1S/C22H28N6/c1-3-7-19-14-21(26-17(2)25-19)27-12-6-8-18(15-27)22-24-11-13-28(22)16-20-9-4-5-10-23-20/h4-5,9-11,13-14,18H,3,6-8,12,15-16H2,1-2H3
InChIKeyNAXRBDHEJQICOW-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-methyl-4-propyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97282076
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
4-methyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine
CID 72858908
4-methyl-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 72859530
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-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 97207632
5-ethyl-2-methyl-4-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97141189
6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97200300
4,5-dimethyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 72872204
2-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97202197
6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 97195658

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-methyl-4-propyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine (CID 72906714) is 2-methyl-4-propyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-propyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-propyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine is CCCc1cc(N2CCCC(c3nccn3Cc3ccccn3)C2)nc(C)n1.
What is the InChIKey of 2-methyl-4-propyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
The InChIKey is NAXRBDHEJQICOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6/c1-3-7-19-14-21(26-17(2)25-19)27-12-6-8-18(15-27)22-24-11-13-28(22)16-20-9-4-5-10-23-20/h4-5,9-11,13-14,18H,3,6-8,12,15-16H2,1-2H3.
What are the key properties of 2-methyl-4-propyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
2-methyl-4-propyl-6-[3-[1-(pyridin-2-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-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 72906714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).