5-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine

C18H16ClN3O — CID 3235150

IUPAC5-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1ncncc1-c1ccccc1Cl
InChIInChI=1S/C18H16ClN3O/c1-23-17-9-5-2-6-13(17)10-21-18-15(11-20-12-22-18)14-7-3-4-8-16(14)19/h2-9,11-12H,10H2,1H3,(H,20,21,22)
InChIKeyHGNUYGVZNJEOIO-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.42
Rot. Bonds5

About 5-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine

5-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 3235150) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID3235150
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name5-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1ncncc1-c1ccccc1Cl
InChIInChI=1S/C18H16ClN3O/c1-23-17-9-5-2-6-13(17)10-21-18-15(11-20-12-22-18)14-7-3-4-8-16(14)19/h2-9,11-12H,10H2,1H3,(H,20,21,22)
InChIKeyHGNUYGVZNJEOIO-UHFFFAOYSA-N
XLogP4.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]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 5-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (CID 3235150) is 5-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is COc1ccccc1CNc1ncncc1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is HGNUYGVZNJEOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-23-17-9-5-2-6-13(17)10-21-18-15(11-20-12-22-18)14-7-3-4-8-16(14)19/h2-9,11-12H,10H2,1H3,(H,20,21,22).
What are the key properties of 5-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
5-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine has a molecular weight of 325.80 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 3235150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).