N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine

C18H17ClN4 — CID 56564118

IUPACN-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NCc2ccccc2Cl)c1C
InChIInChI=1S/C18H17ClN4/c1-12-13(2)22-18(16-9-5-6-10-20-16)23-17(12)21-11-14-7-3-4-8-15(14)19/h3-10H,11H2,1-2H3,(H,21,22,23)
InChIKeyUSLKCBBXHGHKFT-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.42
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine

N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 56564118) has the molecular formula C18H17ClN4 and a molecular weight of 324.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID56564118
Molecular FormulaC18H17ClN4
Molecular Weight324.81 g/mol
Exact Mass324.11
IUPAC NameN-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NCc2ccccc2Cl)c1C
InChIInChI=1S/C18H17ClN4/c1-12-13(2)22-18(16-9-5-6-10-20-16)23-17(12)21-11-14-7-3-4-8-15(14)19/h3-10H,11H2,1-2H3,(H,21,22,23)
InChIKeyUSLKCBBXHGHKFT-UHFFFAOYSA-N
XLogP4.42
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-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 N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine (CID 56564118) is N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine is Cc1nc(-c2ccccn2)nc(NCc2ccccc2Cl)c1C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is USLKCBBXHGHKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4/c1-12-13(2)22-18(16-9-5-6-10-20-16)23-17(12)21-11-14-7-3-4-8-15(14)19/h3-10H,11H2,1-2H3,(H,21,22,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine?
N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 324.81 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 56564118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).