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

C18H23BrN4 — CID 112926128

IUPACN-(4-bromo-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCc1cc(N2CCCC(C)C2)nc(Nc2ccc(Br)cc2C)n1
InChIInChI=1S/C18H23BrN4/c1-12-5-4-8-23(11-12)17-10-14(3)20-18(22-17)21-16-7-6-15(19)9-13(16)2/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,20,21,22)
InChIKeyVNOYRBJHGBKUEL-UHFFFAOYSA-N
MW375.31 g/mol
LogP4.84
Rot. Bonds3

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

N-(4-bromo-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 112926128) has the molecular formula C18H23BrN4 and a molecular weight of 375.31 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID112926128
Molecular FormulaC18H23BrN4
Molecular Weight375.31 g/mol
Exact Mass374.11
IUPAC NameN-(4-bromo-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCc1cc(N2CCCC(C)C2)nc(Nc2ccc(Br)cc2C)n1
InChIInChI=1S/C18H23BrN4/c1-12-5-4-8-23(11-12)17-10-14(3)20-18(22-17)21-16-7-6-15(19)9-13(16)2/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,20,21,22)
InChIKeyVNOYRBJHGBKUEL-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-(5-chloro-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926082
4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 112926053
N-(2-methoxyphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926091
N-(4-ethylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926067
N-tert-butyl-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112924754
N-(1,3-benzodioxol-5-yl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926130
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926131
ethyl 2-[[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112926149
4-methyl-N-[(4-methylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112916523
N-(4-chloro-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909339
N-[3-[[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112926107
N-(2-bromo-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901071

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(4-bromo-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine (CID 112926128) is N-(4-bromo-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine is Cc1cc(N2CCCC(C)C2)nc(Nc2ccc(Br)cc2C)n1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is VNOYRBJHGBKUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4/c1-12-5-4-8-23(11-12)17-10-14(3)20-18(22-17)21-16-7-6-15(19)9-13(16)2/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,20,21,22).
What are the key properties of N-(4-bromo-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
N-(4-bromo-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-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-(4-bromo-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112926128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).