4-N-(2-chlorophenyl)-2-(2-methoxyethyl)pyrimidine-4,6-diamine

C13H15ClN4O — CID 53214574

IUPAC4-N-(2-chlorophenyl)-2-(2-methoxyethyl)pyrimidine-4,6-diamine
SMILESCOCCc1nc(N)cc(Nc2ccccc2Cl)n1
InChIInChI=1S/C13H15ClN4O/c1-19-7-6-12-17-11(15)8-13(18-12)16-10-5-3-2-4-9(10)14/h2-5,8H,6-7H2,1H3,(H3,15,16,17,18)
InChIKeyRDAWUQNNLIINPM-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.64
Rot. Bonds5

About 4-N-(2-chlorophenyl)-2-(2-methoxyethyl)pyrimidine-4,6-diamine

4-N-(2-chlorophenyl)-2-(2-methoxyethyl)pyrimidine-4,6-diamine (PubChem CID 53214574) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-N-(2-chlorophenyl)-2-(2-methoxyethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-chlorophenyl)-2-(2-methoxyethyl)pyrimidine-4,6-diamine
PubChem CID53214574
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name4-N-(2-chlorophenyl)-2-(2-methoxyethyl)pyrimidine-4,6-diamine
SMILESCOCCc1nc(N)cc(Nc2ccccc2Cl)n1
InChIInChI=1S/C13H15ClN4O/c1-19-7-6-12-17-11(15)8-13(18-12)16-10-5-3-2-4-9(10)14/h2-5,8H,6-7H2,1H3,(H3,15,16,17,18)
InChIKeyRDAWUQNNLIINPM-UHFFFAOYSA-N
XLogP2.64
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(2-chlorophenyl)-2-(2-methoxyethyl)pyrimidine-4,6-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 4-N-(2-chlorophenyl)-2-(2-methoxyethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-chlorophenyl)-2-(2-methoxyethyl)pyrimidine-4,6-diamine (CID 53214574) is 4-N-(2-chlorophenyl)-2-(2-methoxyethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-chlorophenyl)-2-(2-methoxyethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-chlorophenyl)-2-(2-methoxyethyl)pyrimidine-4,6-diamine is COCCc1nc(N)cc(Nc2ccccc2Cl)n1.
What is the InChIKey of 4-N-(2-chlorophenyl)-2-(2-methoxyethyl)pyrimidine-4,6-diamine?
The InChIKey is RDAWUQNNLIINPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-19-7-6-12-17-11(15)8-13(18-12)16-10-5-3-2-4-9(10)14/h2-5,8H,6-7H2,1H3,(H3,15,16,17,18).
What are the key properties of 4-N-(2-chlorophenyl)-2-(2-methoxyethyl)pyrimidine-4,6-diamine?
4-N-(2-chlorophenyl)-2-(2-methoxyethyl)pyrimidine-4,6-diamine has a molecular weight of 278.74 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chlorophenyl)-2-(2-methoxyethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 53214574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).