N-(4-bromophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine

C17H21BrN4 — CID 112900944

IUPACN-(4-bromophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCC1CCCCN1c1nccc(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C17H21BrN4/c1-2-15-5-3-4-12-22(15)17-19-11-10-16(21-17)20-14-8-6-13(18)7-9-14/h6-11,15H,2-5,12H2,1H3,(H,19,20,21)
InChIKeyKOLHKULUSFTRCX-UHFFFAOYSA-N
MW361.29 g/mol
LogP4.75
Rot. Bonds4

About N-(4-bromophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine

N-(4-bromophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112900944) has the molecular formula C17H21BrN4 and a molecular weight of 361.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112900944
Molecular FormulaC17H21BrN4
Molecular Weight361.29 g/mol
Exact Mass360.09
IUPAC NameN-(4-bromophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCC1CCCCN1c1nccc(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C17H21BrN4/c1-2-15-5-3-4-12-22(15)17-19-11-10-16(21-17)20-14-8-6-13(18)7-9-14/h6-11,15H,2-5,12H2,1H3,(H,19,20,21)
InChIKeyKOLHKULUSFTRCX-UHFFFAOYSA-N
XLogP4.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-bromophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine
CID 112900963
2-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine
CID 112900973
N-(4-chlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112925978
[2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542232
3-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-1,2,4-triazin-5-amine
CID 112960507
2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553615
N-(3-bromo-4-methylphenyl)-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960520
2-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 116796494
ethyl 4-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112897737
N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112900935
2-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112925995
4-[2-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112896861

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(4-bromophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine (CID 112900944) is N-(4-bromophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4-bromophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine is CCC1CCCCN1c1nccc(Nc2ccc(Br)cc2)n1.
What is the InChIKey of N-(4-bromophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is KOLHKULUSFTRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4/c1-2-15-5-3-4-12-22(15)17-19-11-10-16(21-17)20-14-8-6-13(18)7-9-14/h6-11,15H,2-5,12H2,1H3,(H,19,20,21).
What are the key properties of N-(4-bromophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine?
N-(4-bromophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 361.29 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112900944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).