5-bromo-N-methyl-4-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine

C11H17BrN4O — CID 80872210

IUPAC5-bromo-N-methyl-4-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine
SMILESCNc1ncc(Br)c(OC2CCN(C)CC2)n1
InChIInChI=1S/C11H17BrN4O/c1-13-11-14-7-9(12)10(15-11)17-8-3-5-16(2)6-4-8/h7-8H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyHVNKXGNCQCUETB-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.75
Rot. Bonds3

About 5-bromo-N-methyl-4-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine

5-bromo-N-methyl-4-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine (PubChem CID 80872210) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 5-bromo-N-methyl-4-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-4-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine
PubChem CID80872210
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name5-bromo-N-methyl-4-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine
SMILESCNc1ncc(Br)c(OC2CCN(C)CC2)n1
InChIInChI=1S/C11H17BrN4O/c1-13-11-14-7-9(12)10(15-11)17-8-3-5-16(2)6-4-8/h7-8H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyHVNKXGNCQCUETB-UHFFFAOYSA-N
XLogP1.75
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-2-amine
CID 80876725
4-(4,4-dimethylcyclohexyl)oxy-N,5-dimethylpyrimidin-2-amine
CID 114342911
[5-bromo-4-(3-methylcyclohexyl)oxypyrimidin-2-yl]hydrazine
CID 80910470
5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine
CID 80771027
2-bromo-5-(1-methylpiperidin-4-yl)oxypyridine
CID 129202847
5-bromo-N-ethyl-4-(3-ethylcyclohexyl)oxypyrimidin-2-amine
CID 80876466
5-bromo-2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 80812505
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-bromo-N-methylpyrimidin-2-amine
CID 80854580
5-bromo-2-(1-methylpiperidin-4-yl)oxy-3-nitropyridine
CID 61374363
5-chloro-4-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-2-amine
CID 80876001
8-[5-bromo-2-(methylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80846699
5-bromo-4-(2,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-2-amine
CID 80847335

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-4-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine?
The IUPAC name of 5-bromo-N-methyl-4-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine (CID 80872210) is 5-bromo-N-methyl-4-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-4-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-4-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine is CNc1ncc(Br)c(OC2CCN(C)CC2)n1.
What is the InChIKey of 5-bromo-N-methyl-4-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine?
The InChIKey is HVNKXGNCQCUETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-13-11-14-7-9(12)10(15-11)17-8-3-5-16(2)6-4-8/h7-8H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 5-bromo-N-methyl-4-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine?
5-bromo-N-methyl-4-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine has a molecular weight of 301.19 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-4-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine is sourced from PubChem (CID 80872210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).