7-(2-ethylphenyl)-6-methylquinazoline-2,4-diamine

C17H18N4 — CID 56683111

IUPAC7-(2-ethylphenyl)-6-methylquinazoline-2,4-diamine
SMILESCCc1ccccc1-c1cc2nc(N)nc(N)c2cc1C
InChIInChI=1S/C17H18N4/c1-3-11-6-4-5-7-12(11)13-9-15-14(8-10(13)2)16(18)21-17(19)20-15/h4-9H,3H2,1-2H3,(H4,18,19,20,21)
InChIKeyAVUIUMWUDWCQNC-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.33
Rot. Bonds2

About 7-(2-ethylphenyl)-6-methylquinazoline-2,4-diamine

7-(2-ethylphenyl)-6-methylquinazoline-2,4-diamine (PubChem CID 56683111) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 7-(2-ethylphenyl)-6-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(2-ethylphenyl)-6-methylquinazoline-2,4-diamine
PubChem CID56683111
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name7-(2-ethylphenyl)-6-methylquinazoline-2,4-diamine
SMILESCCc1ccccc1-c1cc2nc(N)nc(N)c2cc1C
InChIInChI=1S/C17H18N4/c1-3-11-6-4-5-7-12(11)13-9-15-14(8-10(13)2)16(18)21-17(19)20-15/h4-9H,3H2,1-2H3,(H4,18,19,20,21)
InChIKeyAVUIUMWUDWCQNC-UHFFFAOYSA-N
XLogP3.33
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-ethylphenyl)-6-methylquinazoline-2,4-diamine?
The IUPAC name of 7-(2-ethylphenyl)-6-methylquinazoline-2,4-diamine (CID 56683111) is 7-(2-ethylphenyl)-6-methylquinazoline-2,4-diamine.
What is the SMILES notation for 7-(2-ethylphenyl)-6-methylquinazoline-2,4-diamine?
The canonical SMILES for 7-(2-ethylphenyl)-6-methylquinazoline-2,4-diamine is CCc1ccccc1-c1cc2nc(N)nc(N)c2cc1C.
What is the InChIKey of 7-(2-ethylphenyl)-6-methylquinazoline-2,4-diamine?
The InChIKey is AVUIUMWUDWCQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-3-11-6-4-5-7-12(11)13-9-15-14(8-10(13)2)16(18)21-17(19)20-15/h4-9H,3H2,1-2H3,(H4,18,19,20,21).
What are the key properties of 7-(2-ethylphenyl)-6-methylquinazoline-2,4-diamine?
7-(2-ethylphenyl)-6-methylquinazoline-2,4-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethylphenyl)-6-methylquinazoline-2,4-diamine is sourced from PubChem (CID 56683111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).