5-(2,3-dichlorophenyl)-6-(phenoxymethyl)pyrimidine-2,4-diamine

C17H14Cl2N4O — CID 19705095

IUPAC5-(2,3-dichlorophenyl)-6-(phenoxymethyl)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(-c2cccc(Cl)c2Cl)c(COc2ccccc2)n1
InChIInChI=1S/C17H14Cl2N4O/c18-12-8-4-7-11(15(12)19)14-13(22-17(21)23-16(14)20)9-24-10-5-2-1-3-6-10/h1-8H,9H2,(H4,20,21,22,23)
InChIKeyHMHHXFXZVHBYGC-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.19
Rot. Bonds4

About 5-(2,3-dichlorophenyl)-6-(phenoxymethyl)pyrimidine-2,4-diamine

5-(2,3-dichlorophenyl)-6-(phenoxymethyl)pyrimidine-2,4-diamine (PubChem CID 19705095) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-6-(phenoxymethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-6-(phenoxymethyl)pyrimidine-2,4-diamine
PubChem CID19705095
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC Name5-(2,3-dichlorophenyl)-6-(phenoxymethyl)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(-c2cccc(Cl)c2Cl)c(COc2ccccc2)n1
InChIInChI=1S/C17H14Cl2N4O/c18-12-8-4-7-11(15(12)19)14-13(22-17(21)23-16(14)20)9-24-10-5-2-1-3-6-10/h1-8H,9H2,(H4,20,21,22,23)
InChIKeyHMHHXFXZVHBYGC-UHFFFAOYSA-N
XLogP4.19
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2,3-dichlorophenyl)-6-(phenoxymethyl)pyrimidine-2,4-diamine 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-(2,3-dichlorophenyl)-6-(phenoxymethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(2,3-dichlorophenyl)-6-(phenoxymethyl)pyrimidine-2,4-diamine (CID 19705095) is 5-(2,3-dichlorophenyl)-6-(phenoxymethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-6-(phenoxymethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(2,3-dichlorophenyl)-6-(phenoxymethyl)pyrimidine-2,4-diamine is Nc1nc(N)c(-c2cccc(Cl)c2Cl)c(COc2ccccc2)n1.
What is the InChIKey of 5-(2,3-dichlorophenyl)-6-(phenoxymethyl)pyrimidine-2,4-diamine?
The InChIKey is HMHHXFXZVHBYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c18-12-8-4-7-11(15(12)19)14-13(22-17(21)23-16(14)20)9-24-10-5-2-1-3-6-10/h1-8H,9H2,(H4,20,21,22,23).
What are the key properties of 5-(2,3-dichlorophenyl)-6-(phenoxymethyl)pyrimidine-2,4-diamine?
5-(2,3-dichlorophenyl)-6-(phenoxymethyl)pyrimidine-2,4-diamine has a molecular weight of 361.23 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-6-(phenoxymethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 19705095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).