4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine

C16H16N4O — CID 80738238

IUPAC4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine
SMILESCCOc1ccccc1Nc1nc(N)nc2ccccc12
InChIInChI=1S/C16H16N4O/c1-2-21-14-10-6-5-9-13(14)18-15-11-7-3-4-8-12(11)19-16(17)20-15/h3-10H,2H2,1H3,(H3,17,18,19,20)
InChIKeyACOFHSKCTMYBTH-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.35
Rot. Bonds4

About 4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine

4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine (PubChem CID 80738238) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine
PubChem CID80738238
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine
SMILESCCOc1ccccc1Nc1nc(N)nc2ccccc12
InChIInChI=1S/C16H16N4O/c1-2-21-14-10-6-5-9-13(14)18-15-11-7-3-4-8-12(11)19-16(17)20-15/h3-10H,2H2,1H3,(H3,17,18,19,20)
InChIKeyACOFHSKCTMYBTH-UHFFFAOYSA-N
XLogP3.35
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2-ethoxyphenyl)-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966057
4-N-(2,3-dimethylphenyl)quinazoline-2,4-diamine
CID 80761965
4-N-(2-ethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563643
6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80763478
4-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80926816
4-N-(2-ethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80762592
4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine
CID 80755119
5-chloro-N-(2-ethoxyphenyl)-3-fluoropyridin-2-amine
CID 79727364
5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482627
5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 114049785
methyl 4-(2-ethoxyanilino)quinoline-2-carboxylate
CID 45499064
4-N-(2-ethoxyphenyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545702

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine (CID 80738238) is 4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine is CCOc1ccccc1Nc1nc(N)nc2ccccc12.
What is the InChIKey of 4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine?
The InChIKey is ACOFHSKCTMYBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-21-14-10-6-5-9-13(14)18-15-11-7-3-4-8-12(11)19-16(17)20-15/h3-10H,2H2,1H3,(H3,17,18,19,20).
What are the key properties of 4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine?
4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine has a molecular weight of 280.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80738238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).