N-(3-bromophenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine

C16H19BrN4 — CID 112910303

IUPACN-(3-bromophenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
SMILESCc1cc(Nc2cccc(Br)c2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H19BrN4/c1-12-10-15(19-14-7-5-6-13(17)11-14)20-16(18-12)21-8-3-2-4-9-21/h5-7,10-11H,2-4,8-9H2,1H3,(H,18,19,20)
InChIKeyKHUCFEPUZNSMGO-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.28
Rot. Bonds3

About N-(3-bromophenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine

N-(3-bromophenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine (PubChem CID 112910303) has the molecular formula C16H19BrN4 and a molecular weight of 347.26 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
PubChem CID112910303
Molecular FormulaC16H19BrN4
Molecular Weight347.26 g/mol
Exact Mass346.08
IUPAC NameN-(3-bromophenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
SMILESCc1cc(Nc2cccc(Br)c2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H19BrN4/c1-12-10-15(19-14-7-5-6-13(17)11-14)20-16(18-12)21-8-3-2-4-9-21/h5-7,10-11H,2-4,8-9H2,1H3,(H,18,19,20)
InChIKeyKHUCFEPUZNSMGO-UHFFFAOYSA-N
XLogP4.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-(3-fluorophenyl)-6-methylpyrimidin-4-amine
CID 112926743
3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzonitrile
CID 112909594
6-methyl-N-(4-piperidin-1-ylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909558
N-(3-chloro-4-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910263
2-N-(3-bromophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80736600
1-[4-[4-methyl-6-(3-methylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915025
N-(3-fluorophenyl)-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112924064
N-(3,5-dimethylphenyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923497
N-(3-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942079
N-(2-ethyl-6-methylphenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909511
N-(2-methoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910270
4-N,4-N-diethyl-1-N-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 112909556

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(3-bromophenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine (CID 112910303) is N-(3-bromophenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine is Cc1cc(Nc2cccc(Br)c2)nc(N2CCCCC2)n1.
What is the InChIKey of N-(3-bromophenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is KHUCFEPUZNSMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4/c1-12-10-15(19-14-7-5-6-13(17)11-14)20-16(18-12)21-8-3-2-4-9-21/h5-7,10-11H,2-4,8-9H2,1H3,(H,18,19,20).
What are the key properties of N-(3-bromophenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine?
N-(3-bromophenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 347.26 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112910303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).