6-N-(2-methoxyethyl)-4-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine

C14H19N5O2 — CID 19148143

IUPAC6-N-(2-methoxyethyl)-4-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCOCCNc1ncnc(Nc2ccccc2OC)c1N
InChIInChI=1S/C14H19N5O2/c1-20-8-7-16-13-12(15)14(18-9-17-13)19-10-5-3-4-6-11(10)21-2/h3-6,9H,7-8,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyQTIJUYCHOCZTQT-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.87
Rot. Bonds7

About 6-N-(2-methoxyethyl)-4-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine

6-N-(2-methoxyethyl)-4-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19148143) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-N-(2-methoxyethyl)-4-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2-methoxyethyl)-4-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
PubChem CID19148143
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name6-N-(2-methoxyethyl)-4-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCOCCNc1ncnc(Nc2ccccc2OC)c1N
InChIInChI=1S/C14H19N5O2/c1-20-8-7-16-13-12(15)14(18-9-17-13)19-10-5-3-4-6-11(10)21-2/h3-6,9H,7-8,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyQTIJUYCHOCZTQT-UHFFFAOYSA-N
XLogP1.87
TPSA94.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-N-(2-methoxyethyl)-4-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine 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 6-N-(2-methoxyethyl)-4-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2-methoxyethyl)-4-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine (CID 19148143) is 6-N-(2-methoxyethyl)-4-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2-methoxyethyl)-4-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2-methoxyethyl)-4-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine is COCCNc1ncnc(Nc2ccccc2OC)c1N.
What is the InChIKey of 6-N-(2-methoxyethyl)-4-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is QTIJUYCHOCZTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-20-8-7-16-13-12(15)14(18-9-17-13)19-10-5-3-4-6-11(10)21-2/h3-6,9H,7-8,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 6-N-(2-methoxyethyl)-4-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine?
6-N-(2-methoxyethyl)-4-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 289.34 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methoxyethyl)-4-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19148143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).