N-(2-bromophenyl)-4-piperidin-1-ylpyrimidin-2-amine

C15H17BrN4 — CID 112884584

IUPACN-(2-bromophenyl)-4-piperidin-1-ylpyrimidin-2-amine
SMILESBrc1ccccc1Nc1nccc(N2CCCCC2)n1
InChIInChI=1S/C15H17BrN4/c16-12-6-2-3-7-13(12)18-15-17-9-8-14(19-15)20-10-4-1-5-11-20/h2-3,6-9H,1,4-5,10-11H2,(H,17,18,19)
InChIKeyYYYCNRGIBKGTCX-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.97
Rot. Bonds3

About N-(2-bromophenyl)-4-piperidin-1-ylpyrimidin-2-amine

N-(2-bromophenyl)-4-piperidin-1-ylpyrimidin-2-amine (PubChem CID 112884584) has the molecular formula C15H17BrN4 and a molecular weight of 333.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-piperidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-piperidin-1-ylpyrimidin-2-amine
PubChem CID112884584
Molecular FormulaC15H17BrN4
Molecular Weight333.23 g/mol
Exact Mass332.06
IUPAC NameN-(2-bromophenyl)-4-piperidin-1-ylpyrimidin-2-amine
SMILESBrc1ccccc1Nc1nccc(N2CCCCC2)n1
InChIInChI=1S/C15H17BrN4/c16-12-6-2-3-7-13(12)18-15-17-9-8-14(19-15)20-10-4-1-5-11-20/h2-3,6-9H,1,4-5,10-11H2,(H,17,18,19)
InChIKeyYYYCNRGIBKGTCX-UHFFFAOYSA-N
XLogP3.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-bromoanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888642
5-(azepan-1-yl)-N-(2-bromophenyl)-1,2,4-triazin-3-amine
CID 112961320
N-(2,3-dimethylphenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884524
4-(azepan-1-yl)-N-(2-ethoxyphenyl)pyrimidin-2-amine
CID 112901569
N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883965
N-(2-bromophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934190
4-(azepan-1-yl)-N-(4-bromophenyl)pyrimidin-2-amine
CID 112901564
N-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883925
4-(azepan-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 112901537
N-(2,4-difluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884594
N-(2-chlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898936
[4-(azocan-1-yl)pyrimidin-2-yl]hydrazine
CID 80932713

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-piperidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-(2-bromophenyl)-4-piperidin-1-ylpyrimidin-2-amine (CID 112884584) is N-(2-bromophenyl)-4-piperidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-(2-bromophenyl)-4-piperidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-(2-bromophenyl)-4-piperidin-1-ylpyrimidin-2-amine is Brc1ccccc1Nc1nccc(N2CCCCC2)n1.
What is the InChIKey of N-(2-bromophenyl)-4-piperidin-1-ylpyrimidin-2-amine?
The InChIKey is YYYCNRGIBKGTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4/c16-12-6-2-3-7-13(12)18-15-17-9-8-14(19-15)20-10-4-1-5-11-20/h2-3,6-9H,1,4-5,10-11H2,(H,17,18,19).
What are the key properties of N-(2-bromophenyl)-4-piperidin-1-ylpyrimidin-2-amine?
N-(2-bromophenyl)-4-piperidin-1-ylpyrimidin-2-amine has a molecular weight of 333.23 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-piperidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112884584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).