N-(2-bromo-4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine

C17H21BrN4 — CID 112856489

IUPACN-(2-bromo-4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(N3CCC(C)CC3)ncn2)c(Br)c1
InChIInChI=1S/C17H21BrN4/c1-12-5-7-22(8-6-12)17-10-16(19-11-20-17)21-15-4-3-13(2)9-14(15)18/h3-4,9-12H,5-8H2,1-2H3,(H,19,20,21)
InChIKeyJBYVGPVISAZOFH-UHFFFAOYSA-N
MW361.29 g/mol
LogP4.53
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine

N-(2-bromo-4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112856489) has the molecular formula C17H21BrN4 and a molecular weight of 361.29 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112856489
Molecular FormulaC17H21BrN4
Molecular Weight361.29 g/mol
Exact Mass360.09
IUPAC NameN-(2-bromo-4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(N3CCC(C)CC3)ncn2)c(Br)c1
InChIInChI=1S/C17H21BrN4/c1-12-5-7-22(8-6-12)17-10-16(19-11-20-17)21-15-4-3-13(2)9-14(15)18/h3-4,9-12H,5-8H2,1-2H3,(H,19,20,21)
InChIKeyJBYVGPVISAZOFH-UHFFFAOYSA-N
XLogP4.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856426
N-(4-chloro-2-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856447
6-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112856437
N-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856463
N-(2-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112911012
4-N,4-N-diethyl-2-methyl-1-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzene-1,4-diamine
CID 112856510
1-[6-(2,5-dimethylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192758
N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856502
2-(4-methylphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546048
N-(4-ethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856432
N-(2-methoxy-5-methylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869263
methyl 2-[[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 112856472

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(2-bromo-4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112856489) is N-(2-bromo-4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine is Cc1ccc(Nc2cc(N3CCC(C)CC3)ncn2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is JBYVGPVISAZOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4/c1-12-5-7-22(8-6-12)17-10-16(19-11-20-17)21-15-4-3-13(2)9-14(15)18/h3-4,9-12H,5-8H2,1-2H3,(H,19,20,21).
What are the key properties of N-(2-bromo-4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
N-(2-bromo-4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 361.29 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112856489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).