2-(4-chlorophenyl)-5,6-dimethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine

C18H23ClN4 — CID 56768195

IUPAC2-(4-chlorophenyl)-5,6-dimethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(-c2ccc(Cl)cc2)nc(NCC2CCNCC2)c1C
InChIInChI=1S/C18H23ClN4/c1-12-13(2)22-18(15-3-5-16(19)6-4-15)23-17(12)21-11-14-7-9-20-10-8-14/h3-6,14,20H,7-11H2,1-2H3,(H,21,22,23)
InChIKeySGMNDJLROJAYKX-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.83
Rot. Bonds4

About 2-(4-chlorophenyl)-5,6-dimethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine

2-(4-chlorophenyl)-5,6-dimethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine (PubChem CID 56768195) has the molecular formula C18H23ClN4 and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5,6-dimethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5,6-dimethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine
PubChem CID56768195
Molecular FormulaC18H23ClN4
Molecular Weight330.86 g/mol
Exact Mass330.16
IUPAC Name2-(4-chlorophenyl)-5,6-dimethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(-c2ccc(Cl)cc2)nc(NCC2CCNCC2)c1C
InChIInChI=1S/C18H23ClN4/c1-12-13(2)22-18(15-3-5-16(19)6-4-15)23-17(12)21-11-14-7-9-20-10-8-14/h3-6,14,20H,7-11H2,1-2H3,(H,21,22,23)
InChIKeySGMNDJLROJAYKX-UHFFFAOYSA-N
XLogP3.83
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-5,6-dimethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5,6-dimethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-(4-chlorophenyl)-5,6-dimethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine (CID 56768195) is 2-(4-chlorophenyl)-5,6-dimethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-5,6-dimethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-chlorophenyl)-5,6-dimethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine is Cc1nc(-c2ccc(Cl)cc2)nc(NCC2CCNCC2)c1C.
What is the InChIKey of 2-(4-chlorophenyl)-5,6-dimethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is SGMNDJLROJAYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4/c1-12-13(2)22-18(15-3-5-16(19)6-4-15)23-17(12)21-11-14-7-9-20-10-8-14/h3-6,14,20H,7-11H2,1-2H3,(H,21,22,23).
What are the key properties of 2-(4-chlorophenyl)-5,6-dimethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine?
2-(4-chlorophenyl)-5,6-dimethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 330.86 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5,6-dimethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 56768195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).