4-N-(2-ethoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine

C16H22N4O — CID 80939464

IUPAC4-N-(2-ethoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccccc2OCC)nc(CC)n1
InChIInChI=1S/C16H22N4O/c1-4-14-19-15(17-5-2)11-16(20-14)18-12-9-7-8-10-13(12)21-6-3/h7-11H,4-6H2,1-3H3,(H2,17,18,19,20)
InChIKeyXNFFXHSMXZPKBQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.61
Rot. Bonds7

About 4-N-(2-ethoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine

4-N-(2-ethoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine (PubChem CID 80939464) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-N-(2-ethoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
PubChem CID80939464
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-N-(2-ethoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccccc2OCC)nc(CC)n1
InChIInChI=1S/C16H22N4O/c1-4-14-19-15(17-5-2)11-16(20-14)18-12-9-7-8-10-13(12)21-6-3/h7-11H,4-6H2,1-3H3,(H2,17,18,19,20)
InChIKeyXNFFXHSMXZPKBQ-UHFFFAOYSA-N
XLogP3.61
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(2-ethoxyphenyl)-6-N,2-diethylpyrimidine-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-N-(2-ethoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80763064
6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80933584
4-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80926816
4-N-(2-ethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872848
4-N-(2-ethoxyphenyl)-6-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112875858
4-N-(2-ethoxyphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112866112
4-N-(5-bromo-2-methoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80940149
methyl 2-[[6-(2-ethoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878454
2-N-tert-butyl-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112924802
4-N-(2,6-difluorophenyl)-6-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878475
4-N-[2-(difluoromethoxy)phenyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80729422
2-cyclopropyl-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969313

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-ethoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine (CID 80939464) is 4-N-(2-ethoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-ethoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-ethoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine is CCNc1cc(Nc2ccccc2OCC)nc(CC)n1.
What is the InChIKey of 4-N-(2-ethoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
The InChIKey is XNFFXHSMXZPKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-14-19-15(17-5-2)11-16(20-14)18-12-9-7-8-10-13(12)21-6-3/h7-11H,4-6H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2-ethoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
4-N-(2-ethoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80939464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).