4-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-5-ethyl-2,6-dimethylpyrimidine

C21H31N5 — CID 97188278

IUPAC4-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-5-ethyl-2,6-dimethylpyrimidine
SMILESCCc1c(C)nc(C)nc1N1CCC[C@H](c2nccn2CC2CCC2)C1
InChIInChI=1S/C21H31N5/c1-4-19-15(2)23-16(3)24-21(19)25-11-6-9-18(14-25)20-22-10-12-26(20)13-17-7-5-8-17/h10,12,17-18H,4-9,11,13-14H2,1-3H3/t18-/m0/s1
InChIKeyJPYOFMGIERKRNH-SFHVURJKSA-N
MW353.51 g/mol
LogP4.04
Rot. Bonds5

About 4-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-5-ethyl-2,6-dimethylpyrimidine

4-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-5-ethyl-2,6-dimethylpyrimidine (PubChem CID 97188278) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is 4-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-5-ethyl-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-5-ethyl-2,6-dimethylpyrimidine
PubChem CID97188278
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC Name4-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-5-ethyl-2,6-dimethylpyrimidine
SMILESCCc1c(C)nc(C)nc1N1CCC[C@H](c2nccn2CC2CCC2)C1
InChIInChI=1S/C21H31N5/c1-4-19-15(2)23-16(3)24-21(19)25-11-6-9-18(14-25)20-22-10-12-26(20)13-17-7-5-8-17/h10,12,17-18H,4-9,11,13-14H2,1-3H3/t18-/m0/s1
InChIKeyJPYOFMGIERKRNH-SFHVURJKSA-N
XLogP4.04
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,5-trimethyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97123365
4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-2,5,6-trimethylpyrimidine
CID 96571031
5-ethyl-4-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2,6-dimethylpyrimidine
CID 72910470
2-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-methoxypyrimidine
CID 70777559
3-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridazine
CID 70738565
4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 96575726
3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine
CID 72877825
4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 70734824
5-chloro-6-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 96572737
5-ethyl-2-methyl-4-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97141189
4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 70726995
4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 96574055

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-5-ethyl-2,6-dimethylpyrimidine?
The IUPAC name of 4-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-5-ethyl-2,6-dimethylpyrimidine (CID 97188278) is 4-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-5-ethyl-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-5-ethyl-2,6-dimethylpyrimidine?
The canonical SMILES for 4-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-5-ethyl-2,6-dimethylpyrimidine is CCc1c(C)nc(C)nc1N1CCC[C@H](c2nccn2CC2CCC2)C1.
What is the InChIKey of 4-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-5-ethyl-2,6-dimethylpyrimidine?
The InChIKey is JPYOFMGIERKRNH-SFHVURJKSA-N. The full InChI is InChI=1S/C21H31N5/c1-4-19-15(2)23-16(3)24-21(19)25-11-6-9-18(14-25)20-22-10-12-26(20)13-17-7-5-8-17/h10,12,17-18H,4-9,11,13-14H2,1-3H3/t18-/m0/s1.
What are the key properties of 4-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-5-ethyl-2,6-dimethylpyrimidine?
4-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-5-ethyl-2,6-dimethylpyrimidine has a molecular weight of 353.51 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-5-ethyl-2,6-dimethylpyrimidine is sourced from PubChem (CID 97188278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).