3-[[(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine

C20H24N4 — CID 97160139

IUPAC3-[[(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESCc1cccc([C@@H]2CCCCN2Cc2cnc3ncccn23)c1C
InChIInChI=1S/C20H24N4/c1-15-7-5-8-18(16(15)2)19-9-3-4-11-23(19)14-17-13-22-20-21-10-6-12-24(17)20/h5-8,10,12-13,19H,3-4,9,11,14H2,1-2H3/t19-/m0/s1
InChIKeyJJQALUKIRLHGEQ-IBGZPJMESA-N
MW320.44 g/mol
LogP4.07
Rot. Bonds3

About 3-[[(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine

3-[[(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine (PubChem CID 97160139) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-[[(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-[[(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
PubChem CID97160139
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name3-[[(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESCc1cccc([C@@H]2CCCCN2Cc2cnc3ncccn23)c1C
InChIInChI=1S/C20H24N4/c1-15-7-5-8-18(16(15)2)19-9-3-4-11-23(19)14-17-13-22-20-21-10-6-12-24(17)20/h5-8,10,12-13,19H,3-4,9,11,14H2,1-2H3/t19-/m0/s1
InChIKeyJJQALUKIRLHGEQ-IBGZPJMESA-N
XLogP4.07
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[[(2R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pyrrolidin-2-yl]methyl]acetamide
CID 129336564
3-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
CID 110106195
4-[(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]butanoic acid
CID 124607930
4-[(2R)-2-(2,3-dimethylphenyl)piperidin-1-yl]butanoic acid
CID 124607931
2-(1-benzylpiperidin-2-yl)-3-methylpyridine
CID 102539039
(4S)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
CID 129336107
6-[[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 71859877
3-(1-benzylpiperidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine
CID 102541932
2-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]ethanone
CID 119336658
3-(1-ethylpiperidin-2-yl)-2-methoxypyridine
CID 102539330
1-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine
CID 84593574
1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-4-propylpyrrolidin-2-one
CID 15952555

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-[[(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine (CID 97160139) is 3-[[(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-[[(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-[[(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine is Cc1cccc([C@@H]2CCCCN2Cc2cnc3ncccn23)c1C.
What is the InChIKey of 3-[[(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is JJQALUKIRLHGEQ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N4/c1-15-7-5-8-18(16(15)2)19-9-3-4-11-23(19)14-17-13-22-20-21-10-6-12-24(17)20/h5-8,10,12-13,19H,3-4,9,11,14H2,1-2H3/t19-/m0/s1.
What are the key properties of 3-[[(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
3-[[(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 320.44 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 97160139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).