4-methyl-6-(4-methylphenyl)-N-(piperidin-4-ylmethyl)pyrimidin-2-amine

C18H24N4 — CID 82191722

IUPAC4-methyl-6-(4-methylphenyl)-N-(piperidin-4-ylmethyl)pyrimidin-2-amine
SMILESCc1ccc(-c2cc(C)nc(NCC3CCNCC3)n2)cc1
InChIInChI=1S/C18H24N4/c1-13-3-5-16(6-4-13)17-11-14(2)21-18(22-17)20-12-15-7-9-19-10-8-15/h3-6,11,15,19H,7-10,12H2,1-2H3,(H,20,21,22)
InChIKeyHUVXCXRQGNTTQI-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.17
Rot. Bonds4

About 4-methyl-6-(4-methylphenyl)-N-(piperidin-4-ylmethyl)pyrimidin-2-amine

4-methyl-6-(4-methylphenyl)-N-(piperidin-4-ylmethyl)pyrimidin-2-amine (PubChem CID 82191722) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-methyl-6-(4-methylphenyl)-N-(piperidin-4-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(4-methylphenyl)-N-(piperidin-4-ylmethyl)pyrimidin-2-amine
PubChem CID82191722
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4-methyl-6-(4-methylphenyl)-N-(piperidin-4-ylmethyl)pyrimidin-2-amine
SMILESCc1ccc(-c2cc(C)nc(NCC3CCNCC3)n2)cc1
InChIInChI=1S/C18H24N4/c1-13-3-5-16(6-4-13)17-11-14(2)21-18(22-17)20-12-15-7-9-19-10-8-15/h3-6,11,15,19H,7-10,12H2,1-2H3,(H,20,21,22)
InChIKeyHUVXCXRQGNTTQI-UHFFFAOYSA-N
XLogP3.17
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-methylphenyl)-N-(piperidin-4-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(4-methylphenyl)-N-(piperidin-4-ylmethyl)pyrimidin-2-amine (CID 82191722) is 4-methyl-6-(4-methylphenyl)-N-(piperidin-4-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(4-methylphenyl)-N-(piperidin-4-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(4-methylphenyl)-N-(piperidin-4-ylmethyl)pyrimidin-2-amine is Cc1ccc(-c2cc(C)nc(NCC3CCNCC3)n2)cc1.
What is the InChIKey of 4-methyl-6-(4-methylphenyl)-N-(piperidin-4-ylmethyl)pyrimidin-2-amine?
The InChIKey is HUVXCXRQGNTTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-13-3-5-16(6-4-13)17-11-14(2)21-18(22-17)20-12-15-7-9-19-10-8-15/h3-6,11,15,19H,7-10,12H2,1-2H3,(H,20,21,22).
What are the key properties of 4-methyl-6-(4-methylphenyl)-N-(piperidin-4-ylmethyl)pyrimidin-2-amine?
4-methyl-6-(4-methylphenyl)-N-(piperidin-4-ylmethyl)pyrimidin-2-amine has a molecular weight of 296.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-methylphenyl)-N-(piperidin-4-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 82191722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).