4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine

C12H15N5 — CID 22544045

IUPAC4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
SMILESCCc1ccccc1Nc1ncnc(N)c1N
InChIInChI=1S/C12H15N5/c1-2-8-5-3-4-6-9(8)17-12-10(13)11(14)15-7-16-12/h3-7H,2,13H2,1H3,(H3,14,15,16,17)
InChIKeyMWYMIYYAYYURDJ-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.95
Rot. Bonds3

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

4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 22544045) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
PubChem CID22544045
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
SMILESCCc1ccccc1Nc1ncnc(N)c1N
InChIInChI=1S/C12H15N5/c1-2-8-5-3-4-6-9(8)17-12-10(13)11(14)15-7-16-12/h3-7H,2,13H2,1H3,(H3,14,15,16,17)
InChIKeyMWYMIYYAYYURDJ-UHFFFAOYSA-N
XLogP1.95
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 22544115
5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 80761572
6-N-butyl-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544033
4-N-cyclopentyl-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544200
4-N-(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 2959709
3-N-(2-ethylphenyl)pyrazine-2,3-diamine
CID 102985203
6-(azepan-1-yl)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine
CID 22544049
6-N-(3-chloro-4-methylphenyl)-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544026
6-N-(1,3-benzodioxol-5-yl)-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22542025
dimethyl 5-[[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22544031
4-N-(2-ethylphenyl)-6-imidazol-1-ylpyrimidine-4,5-diamine
CID 22544226
4-N-(2-ethylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22544122

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine (CID 22544045) is 4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine is CCc1ccccc1Nc1ncnc(N)c1N.
What is the InChIKey of 4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is MWYMIYYAYYURDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-2-8-5-3-4-6-9(8)17-12-10(13)11(14)15-7-16-12/h3-7H,2,13H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine?
4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 229.29 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22544045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).