6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine

C18H23BrN4 — CID 112876827

IUPAC6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(Nc2ccc(Br)cc2C)cc(N2CCCCCC2)n1
InChIInChI=1S/C18H23BrN4/c1-13-11-15(19)7-8-16(13)22-17-12-18(21-14(2)20-17)23-9-5-3-4-6-10-23/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,20,21,22)
InChIKeyTZHZPVMAZZXJMG-UHFFFAOYSA-N
MW375.31 g/mol
LogP4.98
Rot. Bonds3

About 6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine

6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine (PubChem CID 112876827) has the molecular formula C18H23BrN4 and a molecular weight of 375.31 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine
PubChem CID112876827
Molecular FormulaC18H23BrN4
Molecular Weight375.31 g/mol
Exact Mass374.11
IUPAC Name6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(Nc2ccc(Br)cc2C)cc(N2CCCCCC2)n1
InChIInChI=1S/C18H23BrN4/c1-13-11-15(19)7-8-16(13)22-17-12-18(21-14(2)20-17)23-9-5-3-4-6-10-23/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,20,21,22)
InChIKeyTZHZPVMAZZXJMG-UHFFFAOYSA-N
XLogP4.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112870794
N-(4-bromo-2-methylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine
CID 112870959
N-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868937
N-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868891
N-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868570
N-(4-bromo-2-methylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80920057
N-(4-bromo-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941199
1-[6-(2,4-dimethylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193605
6-N-(4-bromo-2-methylphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878999
2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzonitrile
CID 112868587
6-(azepan-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidin-4-amine
CID 112876851
4-bromo-2-[(E)-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 135536456

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine (CID 112876827) is 6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine is Cc1nc(Nc2ccc(Br)cc2C)cc(N2CCCCCC2)n1.
What is the InChIKey of 6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine?
The InChIKey is TZHZPVMAZZXJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4/c1-13-11-15(19)7-8-16(13)22-17-12-18(21-14(2)20-17)23-9-5-3-4-6-10-23/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,20,21,22).
What are the key properties of 6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine?
6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine has a molecular weight of 375.31 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112876827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).