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

C15H21N5 — CID 124973079

IUPAC4-methyl-2-[(2S)-1-methylpiperidin-2-yl]-6-(2-methylpyrazol-3-yl)pyrimidine
SMILESCc1cc(-c2ccnn2C)nc([C@@H]2CCCCN2C)n1
InChIInChI=1S/C15H21N5/c1-11-10-12(13-7-8-16-20(13)3)18-15(17-11)14-6-4-5-9-19(14)2/h7-8,10,14H,4-6,9H2,1-3H3/t14-/m0/s1
InChIKeyKHTUVJIAOIOYPS-AWEZNQCLSA-N
MW271.37 g/mol
LogP2.34
Rot. Bonds2

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

4-methyl-2-[(2S)-1-methylpiperidin-2-yl]-6-(2-methylpyrazol-3-yl)pyrimidine (PubChem CID 124973079) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-methyl-2-[(2S)-1-methylpiperidin-2-yl]-6-(2-methylpyrazol-3-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[(2S)-1-methylpiperidin-2-yl]-6-(2-methylpyrazol-3-yl)pyrimidine
PubChem CID124973079
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-methyl-2-[(2S)-1-methylpiperidin-2-yl]-6-(2-methylpyrazol-3-yl)pyrimidine
SMILESCc1cc(-c2ccnn2C)nc([C@@H]2CCCCN2C)n1
InChIInChI=1S/C15H21N5/c1-11-10-12(13-7-8-16-20(13)3)18-15(17-11)14-6-4-5-9-19(14)2/h7-8,10,14H,4-6,9H2,1-3H3/t14-/m0/s1
InChIKeyKHTUVJIAOIOYPS-AWEZNQCLSA-N
XLogP2.34
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.34
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
4-(2,3-dimethylimidazol-4-yl)-6-methyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine
CID 124976709
4-methyl-2-[(2R)-1-methylpiperidin-2-yl]-6-(1H-pyrazol-5-yl)pyrimidine
CID 124971579
4-methyl-6-(2-methylpyrazol-3-yl)-2-[(2R)-pyrrolidin-2-yl]pyrimidine
CID 124641631
4-chloro-6-methyl-2-[(2R)-1-methylpiperidin-2-yl]pyrimidine
CID 95804428
1-[(3S)-3-[4-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 124956672
2-(2-methylpyrazol-3-yl)-6-(1-methylpyrrolidin-2-yl)pyridine
CID 127246025
3-[6-methyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidin-4-yl]benzoic acid
CID 124992514
4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 125002851
4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 125002852
2,4-dimethyl-6-(2-methylpyrazol-3-yl)pyridine
CID 90367967
2-methyl-4-(2-methylpyrazol-3-yl)-6-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 124968184

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2S)-1-methylpiperidin-2-yl]-6-(2-methylpyrazol-3-yl)pyrimidine?
The IUPAC name of 4-methyl-2-[(2S)-1-methylpiperidin-2-yl]-6-(2-methylpyrazol-3-yl)pyrimidine (CID 124973079) is 4-methyl-2-[(2S)-1-methylpiperidin-2-yl]-6-(2-methylpyrazol-3-yl)pyrimidine.
What is the SMILES notation for 4-methyl-2-[(2S)-1-methylpiperidin-2-yl]-6-(2-methylpyrazol-3-yl)pyrimidine?
The canonical SMILES for 4-methyl-2-[(2S)-1-methylpiperidin-2-yl]-6-(2-methylpyrazol-3-yl)pyrimidine is Cc1cc(-c2ccnn2C)nc([C@@H]2CCCCN2C)n1.
What is the InChIKey of 4-methyl-2-[(2S)-1-methylpiperidin-2-yl]-6-(2-methylpyrazol-3-yl)pyrimidine?
The InChIKey is KHTUVJIAOIOYPS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21N5/c1-11-10-12(13-7-8-16-20(13)3)18-15(17-11)14-6-4-5-9-19(14)2/h7-8,10,14H,4-6,9H2,1-3H3/t14-/m0/s1.
What are the key properties of 4-methyl-2-[(2S)-1-methylpiperidin-2-yl]-6-(2-methylpyrazol-3-yl)pyrimidine?
4-methyl-2-[(2S)-1-methylpiperidin-2-yl]-6-(2-methylpyrazol-3-yl)pyrimidine has a molecular weight of 271.37 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2S)-1-methylpiperidin-2-yl]-6-(2-methylpyrazol-3-yl)pyrimidine is sourced from PubChem (CID 124973079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).