4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine

C15H20N4O — CID 80762856

IUPAC4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1Nc1ccccc1OCC
InChIInChI=1S/C15H20N4O/c1-3-7-11-14(16)17-10-18-15(11)19-12-8-5-6-9-13(12)20-4-2/h5-6,8-10H,3-4,7H2,1-2H3,(H3,16,17,18,19)
InChIKeyGQFDYQIUKPLSRR-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.15
Rot. Bonds6

About 4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine

4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine (PubChem CID 80762856) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine
PubChem CID80762856
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1Nc1ccccc1OCC
InChIInChI=1S/C15H20N4O/c1-3-7-11-14(16)17-10-18-15(11)19-12-8-5-6-9-13(12)20-4-2/h5-6,8-10H,3-4,7H2,1-2H3,(H3,16,17,18,19)
InChIKeyGQFDYQIUKPLSRR-UHFFFAOYSA-N
XLogP3.15
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(2-ethoxyphenyl)-5-propylpyrimidine-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

6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine
CID 63735094
4-N-(2-propan-2-ylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80759282
5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 114049785
4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine
CID 80761295
4-N-[2-(dimethylamino)phenyl]-5-propylpyrimidine-4,6-diamine
CID 106761045
6-N-ethyl-4-N-(2-methoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 80768641
4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762346
4-N-(2-ethoxyphenyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545702
4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80825505
4-N-(2-ethoxyphenyl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19153756
5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 80761572
4-N-(2-ethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80762592

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine (CID 80762856) is 4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1Nc1ccccc1OCC.
What is the InChIKey of 4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine?
The InChIKey is GQFDYQIUKPLSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-7-11-14(16)17-10-18-15(11)19-12-8-5-6-9-13(12)20-4-2/h5-6,8-10H,3-4,7H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine?
4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine has a molecular weight of 272.35 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80762856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).