3-N-(5-ethylpyrimidin-2-yl)-1-N-methylbenzene-1,3-diamine

C13H16N4 — CID 116974888

IUPAC3-N-(5-ethylpyrimidin-2-yl)-1-N-methylbenzene-1,3-diamine
SMILESCCc1cnc(Nc2cccc(NC)c2)nc1
InChIInChI=1S/C13H16N4/c1-3-10-8-15-13(16-9-10)17-12-6-4-5-11(7-12)14-2/h4-9,14H,3H2,1-2H3,(H,15,16,17)
InChIKeyFULGHNMCDXROOP-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.82
Rot. Bonds4

About 3-N-(5-ethylpyrimidin-2-yl)-1-N-methylbenzene-1,3-diamine

3-N-(5-ethylpyrimidin-2-yl)-1-N-methylbenzene-1,3-diamine (PubChem CID 116974888) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-N-(5-ethylpyrimidin-2-yl)-1-N-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(5-ethylpyrimidin-2-yl)-1-N-methylbenzene-1,3-diamine
PubChem CID116974888
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name3-N-(5-ethylpyrimidin-2-yl)-1-N-methylbenzene-1,3-diamine
SMILESCCc1cnc(Nc2cccc(NC)c2)nc1
InChIInChI=1S/C13H16N4/c1-3-10-8-15-13(16-9-10)17-12-6-4-5-11(7-12)14-2/h4-9,14H,3H2,1-2H3,(H,15,16,17)
InChIKeyFULGHNMCDXROOP-UHFFFAOYSA-N
XLogP2.82
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-N-(5-ethylpyrimidin-2-yl)-1-N-methylbenzene-1,3-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-(5-propylpyrimidin-2-yl)benzene-1,3-diamine
CID 116974873
N-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
CID 109267473
1-N-methyl-3-N-pyridin-4-ylbenzene-1,3-diamine
CID 157042736
4-(3-ethylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80860603
2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265488
5-bromo-4-N-(3-ethylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 114071894
3-[[4-methyl-6-[3-(methylamino)anilino]-1,3,5-triazin-2-yl]amino]phenol
CID 123576120
N-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80927980
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine
CID 117027175
3-N-(4-ethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028941
6-[2-(3-ethylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one
CID 163891686
N-(3-ethylphenyl)-1-methylimidazol-2-amine
CID 106559848

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-ethylpyrimidin-2-yl)-1-N-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(5-ethylpyrimidin-2-yl)-1-N-methylbenzene-1,3-diamine (CID 116974888) is 3-N-(5-ethylpyrimidin-2-yl)-1-N-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(5-ethylpyrimidin-2-yl)-1-N-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(5-ethylpyrimidin-2-yl)-1-N-methylbenzene-1,3-diamine is CCc1cnc(Nc2cccc(NC)c2)nc1.
What is the InChIKey of 3-N-(5-ethylpyrimidin-2-yl)-1-N-methylbenzene-1,3-diamine?
The InChIKey is FULGHNMCDXROOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-3-10-8-15-13(16-9-10)17-12-6-4-5-11(7-12)14-2/h4-9,14H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 3-N-(5-ethylpyrimidin-2-yl)-1-N-methylbenzene-1,3-diamine?
3-N-(5-ethylpyrimidin-2-yl)-1-N-methylbenzene-1,3-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-ethylpyrimidin-2-yl)-1-N-methylbenzene-1,3-diamine is sourced from PubChem (CID 116974888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).