2,5-dimethyl-4-N-(4-propoxyphenyl)pyrimidine-4,6-diamine

C15H20N4O — CID 80825854

IUPAC2,5-dimethyl-4-N-(4-propoxyphenyl)pyrimidine-4,6-diamine
SMILESCCCOc1ccc(Nc2nc(C)nc(N)c2C)cc1
InChIInChI=1S/C15H20N4O/c1-4-9-20-13-7-5-12(6-8-13)19-15-10(2)14(16)17-11(3)18-15/h5-8H,4,9H2,1-3H3,(H3,16,17,18,19)
InChIKeyXYADXUFOFYDEEA-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.21
Rot. Bonds5

About 2,5-dimethyl-4-N-(4-propoxyphenyl)pyrimidine-4,6-diamine

2,5-dimethyl-4-N-(4-propoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 80825854) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2,5-dimethyl-4-N-(4-propoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-4-N-(4-propoxyphenyl)pyrimidine-4,6-diamine
PubChem CID80825854
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2,5-dimethyl-4-N-(4-propoxyphenyl)pyrimidine-4,6-diamine
SMILESCCCOc1ccc(Nc2nc(C)nc(N)c2C)cc1
InChIInChI=1S/C15H20N4O/c1-4-9-20-13-7-5-12(6-8-13)19-15-10(2)14(16)17-11(3)18-15/h5-8H,4,9H2,1-3H3,(H3,16,17,18,19)
InChIKeyXYADXUFOFYDEEA-UHFFFAOYSA-N
XLogP3.21
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,5-dimethyl-4-N-(4-propoxyphenyl)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

Related Compounds

3-N-(4-propoxyphenyl)pyrazine-2,3-diamine
CID 102986304
2,5-dimethyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 80759444
4-N-(4-butylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80779326
4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80761015
4-N-(4-ethoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80769010
4-N-(4-propoxyphenyl)benzene-1,2,4-triamine
CID 106750723
4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride
CID 20997997
2,6-dichloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine
CID 106890306
3-amino-2-(4-propoxyanilino)pyridine-4-carbonitrile
CID 82816909
5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80908587
4-N-(2-ethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80762592
2,5-dimethyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine
CID 80851513

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-N-(4-propoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-4-N-(4-propoxyphenyl)pyrimidine-4,6-diamine (CID 80825854) is 2,5-dimethyl-4-N-(4-propoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-4-N-(4-propoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-4-N-(4-propoxyphenyl)pyrimidine-4,6-diamine is CCCOc1ccc(Nc2nc(C)nc(N)c2C)cc1.
What is the InChIKey of 2,5-dimethyl-4-N-(4-propoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is XYADXUFOFYDEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-9-20-13-7-5-12(6-8-13)19-15-10(2)14(16)17-11(3)18-15/h5-8H,4,9H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 2,5-dimethyl-4-N-(4-propoxyphenyl)pyrimidine-4,6-diamine?
2,5-dimethyl-4-N-(4-propoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 272.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-N-(4-propoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80825854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).