N-(2-bromo-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine

C17H21BrN4 — CID 112901071

IUPACN-(2-bromo-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCc1ccc(Nc2nccc(N3CCCC(C)C3)n2)c(Br)c1
InChIInChI=1S/C17H21BrN4/c1-12-5-6-15(14(18)10-12)20-17-19-8-7-16(21-17)22-9-3-4-13(2)11-22/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,19,20,21)
InChIKeyPUIRVYDENDKCPU-UHFFFAOYSA-N
MW361.29 g/mol
LogP4.53
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine

N-(2-bromo-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 112901071) has the molecular formula C17H21BrN4 and a molecular weight of 361.29 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID112901071
Molecular FormulaC17H21BrN4
Molecular Weight361.29 g/mol
Exact Mass360.09
IUPAC NameN-(2-bromo-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCc1ccc(Nc2nccc(N3CCCC(C)C3)n2)c(Br)c1
InChIInChI=1S/C17H21BrN4/c1-12-5-6-15(14(18)10-12)20-17-19-8-7-16(21-17)22-9-3-4-13(2)11-22/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,19,20,21)
InChIKeyPUIRVYDENDKCPU-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-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112900997
N-(2-bromo-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926238
N-(2-ethylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901009
N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901090
N-tert-butyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112899803
N-(3-chloro-4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901029
N-(4-bromo-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926128
[2-(2-bromo-4-methylanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109175751
N-(4-bromo-3-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885211
[2-(2-bromo-4-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297812
N-(2-bromophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876605
N-(2-bromophenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884584

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(2-bromo-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine (CID 112901071) is N-(2-bromo-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine is Cc1ccc(Nc2nccc(N3CCCC(C)C3)n2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is PUIRVYDENDKCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4/c1-12-5-6-15(14(18)10-12)20-17-19-8-7-16(21-17)22-9-3-4-13(2)11-22/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,19,20,21).
What are the key properties of N-(2-bromo-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
N-(2-bromo-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-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)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112901071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).