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

C18H24N4 — CID 932203

IUPACN-benzyl-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCc1cc(N2CCC(C)CC2)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H24N4/c1-14-8-10-22(11-9-14)17-12-15(2)20-18(21-17)19-13-16-6-4-3-5-7-16/h3-7,12,14H,8-11,13H2,1-2H3,(H,19,20,21)
InChIKeyZXDFNGUSZJCZPH-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.63
Rot. Bonds4

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

N-benzyl-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 932203) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-benzyl-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID932203
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-benzyl-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCc1cc(N2CCC(C)CC2)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H24N4/c1-14-8-10-22(11-9-14)17-12-15(2)20-18(21-17)19-13-16-6-4-3-5-7-16/h3-7,12,14H,8-11,13H2,1-2H3,(H,19,20,21)
InChIKeyZXDFNGUSZJCZPH-UHFFFAOYSA-N
XLogP3.63
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-benzyl-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine (CID 932203) is N-benzyl-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-benzyl-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-benzyl-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine is Cc1cc(N2CCC(C)CC2)nc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is ZXDFNGUSZJCZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-14-8-10-22(11-9-14)17-12-15(2)20-18(21-17)19-13-16-6-4-3-5-7-16/h3-7,12,14H,8-11,13H2,1-2H3,(H,19,20,21).
What are the key properties of N-benzyl-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
N-benzyl-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 296.42 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 932203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).