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

C21H26N6 — CID 97141189

IUPAC5-ethyl-2-methyl-4-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
SMILESCCc1cnc(C)nc1N1CCC[C@H](c2nccn2Cc2ccccn2)C1
InChIInChI=1S/C21H26N6/c1-3-17-13-24-16(2)25-21(17)26-11-6-7-18(14-26)20-23-10-12-27(20)15-19-8-4-5-9-22-19/h4-5,8-10,12-13,18H,3,6-7,11,14-15H2,1-2H3/t18-/m0/s1
InChIKeyBSNALJAAPNDZRR-SFHVURJKSA-N
MW362.48 g/mol
LogP3.37
Rot. Bonds5

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

5-ethyl-2-methyl-4-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine (PubChem CID 97141189) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 5-ethyl-2-methyl-4-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-ethyl-2-methyl-4-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
PubChem CID97141189
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name5-ethyl-2-methyl-4-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
SMILESCCc1cnc(C)nc1N1CCC[C@H](c2nccn2Cc2ccccn2)C1
InChIInChI=1S/C21H26N6/c1-3-17-13-24-16(2)25-21(17)26-11-6-7-18(14-26)20-23-10-12-27(20)15-19-8-4-5-9-22-19/h4-5,8-10,12-13,18H,3,6-7,11,14-15H2,1-2H3/t18-/m0/s1
InChIKeyBSNALJAAPNDZRR-SFHVURJKSA-N
XLogP3.37
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dimethyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 72872204
2-methyl-4-propyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 72906714
4-[[2-[(3S)-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97282594
4-methyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine
CID 72858908
2-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97202197
4-methyl-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 72859530
2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 97207632
6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 97195658
N,N-dimethyl-2-[2-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
CID 72854865
4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-2,5,6-trimethylpyrimidine
CID 96571031
2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97269025
6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97200300

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-4-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 5-ethyl-2-methyl-4-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine (CID 97141189) is 5-ethyl-2-methyl-4-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-ethyl-2-methyl-4-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-ethyl-2-methyl-4-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine is CCc1cnc(C)nc1N1CCC[C@H](c2nccn2Cc2ccccn2)C1.
What is the InChIKey of 5-ethyl-2-methyl-4-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
The InChIKey is BSNALJAAPNDZRR-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26N6/c1-3-17-13-24-16(2)25-21(17)26-11-6-7-18(14-26)20-23-10-12-27(20)15-19-8-4-5-9-22-19/h4-5,8-10,12-13,18H,3,6-7,11,14-15H2,1-2H3/t18-/m0/s1.
What are the key properties of 5-ethyl-2-methyl-4-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
5-ethyl-2-methyl-4-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine has a molecular weight of 362.48 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-4-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 97141189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).