4-(2,3-dimethylimidazol-4-yl)-6-methyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine

C16H23N5 — CID 124976709

IUPAC4-(2,3-dimethylimidazol-4-yl)-6-methyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine
SMILESCc1cc(-c2cnc(C)n2C)nc([C@@H]2CCCCN2C)n1
InChIInChI=1S/C16H23N5/c1-11-9-13(15-10-17-12(2)21(15)4)19-16(18-11)14-7-5-6-8-20(14)3/h9-10,14H,5-8H2,1-4H3/t14-/m0/s1
InChIKeyLHLIWNXFNZJXGR-AWEZNQCLSA-N
MW285.39 g/mol
LogP2.65
Rot. Bonds2

About 4-(2,3-dimethylimidazol-4-yl)-6-methyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine

4-(2,3-dimethylimidazol-4-yl)-6-methyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine (PubChem CID 124976709) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-(2,3-dimethylimidazol-4-yl)-6-methyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine.

Molecular Properties

Compound Name4-(2,3-dimethylimidazol-4-yl)-6-methyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine
PubChem CID124976709
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-(2,3-dimethylimidazol-4-yl)-6-methyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine
SMILESCc1cc(-c2cnc(C)n2C)nc([C@@H]2CCCCN2C)n1
InChIInChI=1S/C16H23N5/c1-11-9-13(15-10-17-12(2)21(15)4)19-16(18-11)14-7-5-6-8-20(14)3/h9-10,14H,5-8H2,1-4H3/t14-/m0/s1
InChIKeyLHLIWNXFNZJXGR-AWEZNQCLSA-N
XLogP2.65
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine
CID 95817120
(2R)-2-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 124948683
4-methyl-2-[(2S)-1-methylpiperidin-2-yl]-6-(2-methylpyrazol-3-yl)pyrimidine
CID 124973079
4-(2,3-dimethylimidazol-4-yl)-6-methyl-2-[(3R)-1-methylpiperidin-3-yl]pyrimidine
CID 124997329
4-chloro-6-methyl-2-[(2R)-1-methylpiperidin-2-yl]pyrimidine
CID 95804428
1-[4-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110130977
4-methyl-2-[(2R)-1-methylpiperidin-2-yl]-6-(1H-pyrazol-5-yl)pyrimidine
CID 124971579
3-[6-methyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidin-4-yl]benzoic acid
CID 124992514
4-methyl-6-(3-methylimidazol-4-yl)-2-(1-methylsulfonylpiperidin-2-yl)pyrimidine
CID 110131743
3-[6-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid
CID 95823594
N-cyclopropyl-6-methyl-2-[(2S)-1-methylpyrrolidin-2-yl]pyrimidine-4-carboxamide
CID 95829475
4-(2,3-dimethylimidazol-4-yl)-6-methyl-N-propylpyrimidin-2-amine
CID 114283486

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylimidazol-4-yl)-6-methyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine?
The IUPAC name of 4-(2,3-dimethylimidazol-4-yl)-6-methyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine (CID 124976709) is 4-(2,3-dimethylimidazol-4-yl)-6-methyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine.
What is the SMILES notation for 4-(2,3-dimethylimidazol-4-yl)-6-methyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine?
The canonical SMILES for 4-(2,3-dimethylimidazol-4-yl)-6-methyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine is Cc1cc(-c2cnc(C)n2C)nc([C@@H]2CCCCN2C)n1.
What is the InChIKey of 4-(2,3-dimethylimidazol-4-yl)-6-methyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine?
The InChIKey is LHLIWNXFNZJXGR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N5/c1-11-9-13(15-10-17-12(2)21(15)4)19-16(18-11)14-7-5-6-8-20(14)3/h9-10,14H,5-8H2,1-4H3/t14-/m0/s1.
What are the key properties of 4-(2,3-dimethylimidazol-4-yl)-6-methyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine?
4-(2,3-dimethylimidazol-4-yl)-6-methyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine has a molecular weight of 285.39 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylimidazol-4-yl)-6-methyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine is sourced from PubChem (CID 124976709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).