N-(2-bromo-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C18H23BrN4 — CID 112926238

IUPACN-(2-bromo-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(C)nc(N3CCCC(C)C3)n2)c(Br)c1
InChIInChI=1S/C18H23BrN4/c1-12-6-7-16(15(19)9-12)21-17-10-14(3)20-18(22-17)23-8-4-5-13(2)11-23/h6-7,9-10,13H,4-5,8,11H2,1-3H3,(H,20,21,22)
InChIKeyVDPLHDXBVIOHQP-UHFFFAOYSA-N
MW375.31 g/mol
LogP4.84
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

N-(2-bromo-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112926238) 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-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112926238
Molecular FormulaC18H23BrN4
Molecular Weight375.31 g/mol
Exact Mass374.11
IUPAC NameN-(2-bromo-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(C)nc(N3CCCC(C)C3)n2)c(Br)c1
InChIInChI=1S/C18H23BrN4/c1-12-6-7-16(15(19)9-12)21-17-10-14(3)20-18(22-17)23-8-4-5-13(2)11-23/h6-7,9-10,13H,4-5,8,11H2,1-3H3,(H,20,21,22)
InChIKeyVDPLHDXBVIOHQP-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-bromophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926236
N-(2-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112911012
N-(4-chloro-2-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926194
N-(2,3-dimethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926175
6-methyl-2-(3-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112926182
N-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926176
N-(2-bromo-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901071
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926199
N-(3-chloro-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926195
N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926257
6-methyl-2-(3-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 112926246
N-(2-bromophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876605

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(2-bromo-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112926238) is N-(2-bromo-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine is Cc1ccc(Nc2cc(C)nc(N3CCCC(C)C3)n2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is VDPLHDXBVIOHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4/c1-12-6-7-16(15(19)9-12)21-17-10-14(3)20-18(22-17)23-8-4-5-13(2)11-23/h6-7,9-10,13H,4-5,8,11H2,1-3H3,(H,20,21,22).
What are the key properties of N-(2-bromo-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
N-(2-bromo-4-methylphenyl)-6-methyl-2-(3-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-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112926238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).