5-bromo-4-(2,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-2-amine

C12H19BrN4 — CID 80847335

IUPAC5-bromo-4-(2,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(N2CC(C)CCC2C)n1
InChIInChI=1S/C12H19BrN4/c1-8-4-5-9(2)17(7-8)11-10(13)6-15-12(14-3)16-11/h6,8-9H,4-5,7H2,1-3H3,(H,14,15,16)
InChIKeyMWWQCUKKLKQXDV-UHFFFAOYSA-N
MW299.22 g/mol
LogP2.91
Rot. Bonds2

About 5-bromo-4-(2,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-2-amine

5-bromo-4-(2,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-2-amine (PubChem CID 80847335) has the molecular formula C12H19BrN4 and a molecular weight of 299.22 g/mol. Its IUPAC name is 5-bromo-4-(2,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(2,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-2-amine
PubChem CID80847335
Molecular FormulaC12H19BrN4
Molecular Weight299.22 g/mol
Exact Mass298.08
IUPAC Name5-bromo-4-(2,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(N2CC(C)CCC2C)n1
InChIInChI=1S/C12H19BrN4/c1-8-4-5-9(2)17(7-8)11-10(13)6-15-12(14-3)16-11/h6,8-9H,4-5,7H2,1-3H3,(H,14,15,16)
InChIKeyMWWQCUKKLKQXDV-UHFFFAOYSA-N
XLogP2.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine
CID 83224305
5-bromo-4-(2,6-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine
CID 80764445
5-bromo-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80766777
5-bromo-4-(5-ethyl-2-methylmorpholin-4-yl)-N-methylpyrimidin-2-amine
CID 80796103
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-bromo-N-methylpyrimidin-2-amine
CID 80854580
8-[5-bromo-2-(methylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80846699
1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide
CID 80806637
5-bromo-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-2-amine
CID 80857185
5-bromo-4-(3-cyclopropylpyrazol-1-yl)-N-methylpyrimidin-2-amine
CID 80867881
5-bromo-4-(3,5-dimethylpiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80767611
5-bromo-4-(3-methylmorpholin-4-yl)-N-propylpyrimidin-2-amine
CID 80780829
4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565345

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(2,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-2-amine (CID 80847335) is 5-bromo-4-(2,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(2,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(2,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-2-amine is CNc1ncc(Br)c(N2CC(C)CCC2C)n1.
What is the InChIKey of 5-bromo-4-(2,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-2-amine?
The InChIKey is MWWQCUKKLKQXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4/c1-8-4-5-9(2)17(7-8)11-10(13)6-15-12(14-3)16-11/h6,8-9H,4-5,7H2,1-3H3,(H,14,15,16).
What are the key properties of 5-bromo-4-(2,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-2-amine?
5-bromo-4-(2,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-2-amine has a molecular weight of 299.22 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80847335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).