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

C12H16N6O — CID 80926816

IUPAC4-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1cc(NN)nc(N)n1
InChIInChI=1S/C12H16N6O/c1-2-19-9-6-4-3-5-8(9)15-10-7-11(18-14)17-12(13)16-10/h3-7H,2,14H2,1H3,(H4,13,15,16,17,18)
InChIKeyOFSPIPGOSQIZON-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.49
Rot. Bonds5

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

4-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine (PubChem CID 80926816) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
PubChem CID80926816
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name4-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1cc(NN)nc(N)n1
InChIInChI=1S/C12H16N6O/c1-2-19-9-6-4-3-5-8(9)15-10-7-11(18-14)17-12(13)16-10/h3-7H,2,14H2,1H3,(H4,13,15,16,17,18)
InChIKeyOFSPIPGOSQIZON-UHFFFAOYSA-N
XLogP1.49
TPSA111.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidine-2,4-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

2-cyclopropyl-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969313
4-N-(2-ethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563643
4-N-(2-ethoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80939464
6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80763478
4-N-(2-ethoxyphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112866112
2-N-(2-ethoxyphenyl)-6-methoxypyridine-2,5-diamine
CID 43261354
4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine
CID 80738238
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
6-N-(2-ethoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80763064
methyl 2-[[6-(2-ethoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878454
6-(difluoromethyl)-N-(2-ethoxyphenyl)-2-methylpyrimidin-4-amine
CID 154882785

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine (CID 80926816) is 4-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine is CCOc1ccccc1Nc1cc(NN)nc(N)n1.
What is the InChIKey of 4-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine?
The InChIKey is OFSPIPGOSQIZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-2-19-9-6-4-3-5-8(9)15-10-7-11(18-14)17-12(13)16-10/h3-7H,2,14H2,1H3,(H4,13,15,16,17,18).
What are the key properties of 4-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine?
4-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine has a molecular weight of 260.30 g/mol, XLogP of 1.49, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine is sourced from PubChem (CID 80926816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).