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

C18H23BrN4 — CID 112911012

IUPACN-(2-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(C)nc(N3CCC(C)CC3)n2)c(Br)c1
InChIInChI=1S/C18H23BrN4/c1-12-6-8-23(9-7-12)18-20-14(3)11-17(22-18)21-16-5-4-13(2)10-15(16)19/h4-5,10-12H,6-9H2,1-3H3,(H,20,21,22)
InChIKeyMFNVYKBQHRRSLN-UHFFFAOYSA-N
MW375.31 g/mol
LogP4.84
Rot. Bonds3

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

N-(2-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112911012) has the molecular formula C18H23BrN4 and a molecular weight of 375.31 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112911012
Molecular FormulaC18H23BrN4
Molecular Weight375.31 g/mol
Exact Mass374.11
IUPAC NameN-(2-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(C)nc(N3CCC(C)CC3)n2)c(Br)c1
InChIInChI=1S/C18H23BrN4/c1-12-6-8-23(9-7-12)18-20-14(3)11-17(22-18)21-16-5-4-13(2)10-15(16)19/h4-5,10-12H,6-9H2,1-3H3,(H,20,21,22)
InChIKeyMFNVYKBQHRRSLN-UHFFFAOYSA-N
XLogP4.84
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 ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926238
N-(2-bromo-4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856489
N-(2-bromophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926236
N-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 108805686
4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidine
CID 78845238
6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
CID 112910958
N-butan-2-yl-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112908851
6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 56724721
N-(2,5-dimethylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109323015
6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine
CID 112910888
4-N-(2-bromo-4-methylphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80768591
N-(4-chloro-2-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926194

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(2-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112911012) is N-(2-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine is Cc1ccc(Nc2cc(C)nc(N3CCC(C)CC3)n2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is MFNVYKBQHRRSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4/c1-12-6-8-23(9-7-12)18-20-14(3)11-17(22-18)21-16-5-4-13(2)10-15(16)19/h4-5,10-12H,6-9H2,1-3H3,(H,20,21,22).
What are the key properties of N-(2-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
N-(2-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 375.31 g/mol, XLogP of 4.84, 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-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112911012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).