5-bromo-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-[(2S)-2-methylpiperidin-1-yl]pyrimidine

C16H22BrN5 — CID 40947065

IUPAC5-bromo-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-[(2S)-2-methylpiperidin-1-yl]pyrimidine
SMILESCc1cc(C)n(-c2nc(C)c(Br)c(N3CCCC[C@@H]3C)n2)n1
InChIInChI=1S/C16H22BrN5/c1-10-9-12(3)22(20-10)16-18-13(4)14(17)15(19-16)21-8-6-5-7-11(21)2/h9,11H,5-8H2,1-4H3/t11-/m0/s1
InChIKeyYGPKNBAUVVAKQY-NSHDSACASA-N
MW364.29 g/mol
LogP3.73
Rot. Bonds2

About 5-bromo-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-[(2S)-2-methylpiperidin-1-yl]pyrimidine

5-bromo-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-[(2S)-2-methylpiperidin-1-yl]pyrimidine (PubChem CID 40947065) has the molecular formula C16H22BrN5 and a molecular weight of 364.29 g/mol. Its IUPAC name is 5-bromo-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-[(2S)-2-methylpiperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-[(2S)-2-methylpiperidin-1-yl]pyrimidine
PubChem CID40947065
Molecular FormulaC16H22BrN5
Molecular Weight364.29 g/mol
Exact Mass363.11
IUPAC Name5-bromo-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-[(2S)-2-methylpiperidin-1-yl]pyrimidine
SMILESCc1cc(C)n(-c2nc(C)c(Br)c(N3CCCC[C@@H]3C)n2)n1
InChIInChI=1S/C16H22BrN5/c1-10-9-12(3)22(20-10)16-18-13(4)14(17)15(19-16)21-8-6-5-7-11(21)2/h9,11H,5-8H2,1-4H3/t11-/m0/s1
InChIKeyYGPKNBAUVVAKQY-NSHDSACASA-N
XLogP3.73
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 71564116
5-bromo-4-N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,6-diamine
CID 53468668
N-[2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide
CID 74223587
2,6-dimethyl-4-(2-methylazepan-1-yl)pyridine-3-carboxylic acid
CID 81052989
6-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62701810
4,6-dimethyl-2-(2-methylpiperidin-1-yl)pyridine-3-carbothioamide
CID 61177475
5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine
CID 53468667
1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane
CID 80978841
4,5-dimethyl-2-[(2S)-2-methylpiperidin-1-yl]aniline
CID 94675572
[4,6-dimethyl-2-(2-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 61177074
3-bromo-5-methyl-2-(2-methylpyrrolidin-1-yl)pyridine
CID 105367577
4-bromo-2-(2-methylazepan-1-yl)-1,3-thiazole
CID 79400292

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-[(2S)-2-methylpiperidin-1-yl]pyrimidine?
The IUPAC name of 5-bromo-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-[(2S)-2-methylpiperidin-1-yl]pyrimidine (CID 40947065) is 5-bromo-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-[(2S)-2-methylpiperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-bromo-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-[(2S)-2-methylpiperidin-1-yl]pyrimidine?
The canonical SMILES for 5-bromo-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-[(2S)-2-methylpiperidin-1-yl]pyrimidine is Cc1cc(C)n(-c2nc(C)c(Br)c(N3CCCC[C@@H]3C)n2)n1.
What is the InChIKey of 5-bromo-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-[(2S)-2-methylpiperidin-1-yl]pyrimidine?
The InChIKey is YGPKNBAUVVAKQY-NSHDSACASA-N. The full InChI is InChI=1S/C16H22BrN5/c1-10-9-12(3)22(20-10)16-18-13(4)14(17)15(19-16)21-8-6-5-7-11(21)2/h9,11H,5-8H2,1-4H3/t11-/m0/s1.
What are the key properties of 5-bromo-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-[(2S)-2-methylpiperidin-1-yl]pyrimidine?
5-bromo-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-[(2S)-2-methylpiperidin-1-yl]pyrimidine has a molecular weight of 364.29 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-[(2S)-2-methylpiperidin-1-yl]pyrimidine is sourced from PubChem (CID 40947065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).