4-imidazol-1-yl-6-[(2S)-2-(4-propan-2-ylphenyl)piperidin-1-yl]pyrimidine

C21H25N5 — CID 97085634

IUPAC4-imidazol-1-yl-6-[(2S)-2-(4-propan-2-ylphenyl)piperidin-1-yl]pyrimidine
SMILESCC(C)c1ccc([C@@H]2CCCCN2c2cc(-n3ccnc3)ncn2)cc1
InChIInChI=1S/C21H25N5/c1-16(2)17-6-8-18(9-7-17)19-5-3-4-11-26(19)21-13-20(23-14-24-21)25-12-10-22-15-25/h6-10,12-16,19H,3-5,11H2,1-2H3/t19-/m0/s1
InChIKeyVSSUDDKRJJNTHV-IBGZPJMESA-N
MW347.47 g/mol
LogP4.52
Rot. Bonds4

About 4-imidazol-1-yl-6-[(2S)-2-(4-propan-2-ylphenyl)piperidin-1-yl]pyrimidine

4-imidazol-1-yl-6-[(2S)-2-(4-propan-2-ylphenyl)piperidin-1-yl]pyrimidine (PubChem CID 97085634) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-[(2S)-2-(4-propan-2-ylphenyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-[(2S)-2-(4-propan-2-ylphenyl)piperidin-1-yl]pyrimidine
PubChem CID97085634
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name4-imidazol-1-yl-6-[(2S)-2-(4-propan-2-ylphenyl)piperidin-1-yl]pyrimidine
SMILESCC(C)c1ccc([C@@H]2CCCCN2c2cc(-n3ccnc3)ncn2)cc1
InChIInChI=1S/C21H25N5/c1-16(2)17-6-8-18(9-7-17)19-5-3-4-11-26(19)21-13-20(23-14-24-21)25-12-10-22-15-25/h6-10,12-16,19H,3-5,11H2,1-2H3/t19-/m0/s1
InChIKeyVSSUDDKRJJNTHV-IBGZPJMESA-N
XLogP4.52
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-imidazol-1-yl-6-propan-2-ylpyrimidine
CID 63811489
4-imidazol-1-yl-6-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]pyrimidine
CID 75373069
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 56700366
1-[(2R)-2-[2-(6-imidazol-1-ylpyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone
CID 95825007
1-[2-[2-(6-imidazol-1-ylpyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone
CID 110257310
(3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 95366508
4-cyclobutyl-6-imidazol-1-ylpyrimidine;hydrochloride
CID 165434530
N-cyclohexyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520214
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-methyl-N-phenylpiperidine-4-carboxamide
CID 90520358
methyl 2-[4-[(2S)-2-(4-propan-2-ylphenyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]acetate
CID 97250179
2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine
CID 124998210
(2-ethylpiperidin-1-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 90520223

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-[(2S)-2-(4-propan-2-ylphenyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-imidazol-1-yl-6-[(2S)-2-(4-propan-2-ylphenyl)piperidin-1-yl]pyrimidine (CID 97085634) is 4-imidazol-1-yl-6-[(2S)-2-(4-propan-2-ylphenyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-imidazol-1-yl-6-[(2S)-2-(4-propan-2-ylphenyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-imidazol-1-yl-6-[(2S)-2-(4-propan-2-ylphenyl)piperidin-1-yl]pyrimidine is CC(C)c1ccc([C@@H]2CCCCN2c2cc(-n3ccnc3)ncn2)cc1.
What is the InChIKey of 4-imidazol-1-yl-6-[(2S)-2-(4-propan-2-ylphenyl)piperidin-1-yl]pyrimidine?
The InChIKey is VSSUDDKRJJNTHV-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25N5/c1-16(2)17-6-8-18(9-7-17)19-5-3-4-11-26(19)21-13-20(23-14-24-21)25-12-10-22-15-25/h6-10,12-16,19H,3-5,11H2,1-2H3/t19-/m0/s1.
What are the key properties of 4-imidazol-1-yl-6-[(2S)-2-(4-propan-2-ylphenyl)piperidin-1-yl]pyrimidine?
4-imidazol-1-yl-6-[(2S)-2-(4-propan-2-ylphenyl)piperidin-1-yl]pyrimidine has a molecular weight of 347.47 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-[(2S)-2-(4-propan-2-ylphenyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 97085634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).