4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-2,5,6-trimethylpyrimidine

C22H27N5 — CID 96571031

IUPAC4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-2,5,6-trimethylpyrimidine
SMILESCc1nc(C)c(C)c(N2CCC[C@H](c3nccn3Cc3ccccc3)C2)n1
InChIInChI=1S/C22H27N5/c1-16-17(2)24-18(3)25-21(16)26-12-7-10-20(15-26)22-23-11-13-27(22)14-19-8-5-4-6-9-19/h4-6,8-9,11,13,20H,7,10,12,14-15H2,1-3H3/t20-/m0/s1
InChIKeyMOKMOIBKJDDZEL-FQEVSTJZSA-N
MW361.49 g/mol
LogP4.03
Rot. Bonds4

About 4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-2,5,6-trimethylpyrimidine

4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-2,5,6-trimethylpyrimidine (PubChem CID 96571031) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-2,5,6-trimethylpyrimidine.

Molecular Properties

Compound Name4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-2,5,6-trimethylpyrimidine
PubChem CID96571031
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-2,5,6-trimethylpyrimidine
SMILESCc1nc(C)c(C)c(N2CCC[C@H](c3nccn3Cc3ccccc3)C2)n1
InChIInChI=1S/C22H27N5/c1-16-17(2)24-18(3)25-21(16)26-12-7-10-20(15-26)22-23-11-13-27(22)14-19-8-5-4-6-9-19/h4-6,8-9,11,13,20H,7,10,12,14-15H2,1-3H3/t20-/m0/s1
InChIKeyMOKMOIBKJDDZEL-FQEVSTJZSA-N
XLogP4.03
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.03
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
4,5-dimethyl-6-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97130207
5-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 70766458
4,5-dimethyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 72872204
4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine
CID 70723430
4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine
CID 96573599
5-[[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methylthiadiazole
CID 96579700
5-ethyl-2-methyl-4-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97141189
4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 70734472
4-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-5-ethyl-2,6-dimethylpyrimidine
CID 97188278
4-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine
CID 97273146
2-methyl-4-propyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97282076

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-2,5,6-trimethylpyrimidine?
The IUPAC name of 4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-2,5,6-trimethylpyrimidine (CID 96571031) is 4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-2,5,6-trimethylpyrimidine.
What is the SMILES notation for 4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-2,5,6-trimethylpyrimidine?
The canonical SMILES for 4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-2,5,6-trimethylpyrimidine is Cc1nc(C)c(C)c(N2CCC[C@H](c3nccn3Cc3ccccc3)C2)n1.
What is the InChIKey of 4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-2,5,6-trimethylpyrimidine?
The InChIKey is MOKMOIBKJDDZEL-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27N5/c1-16-17(2)24-18(3)25-21(16)26-12-7-10-20(15-26)22-23-11-13-27(22)14-19-8-5-4-6-9-19/h4-6,8-9,11,13,20H,7,10,12,14-15H2,1-3H3/t20-/m0/s1.
What are the key properties of 4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-2,5,6-trimethylpyrimidine?
4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-2,5,6-trimethylpyrimidine has a molecular weight of 361.49 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-2,5,6-trimethylpyrimidine is sourced from PubChem (CID 96571031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).