5-methyl-6-[(E)-2-phenylethenyl]quinazoline-2,4-diamine

C17H16N4 — CID 21248371

IUPAC5-methyl-6-[(E)-2-phenylethenyl]quinazoline-2,4-diamine
SMILESCc1c(/C=C/c2ccccc2)ccc2nc(N)nc(N)c12
InChIInChI=1S/C17H16N4/c1-11-13(8-7-12-5-3-2-4-6-12)9-10-14-15(11)16(18)21-17(19)20-14/h2-10H,1H3,(H4,18,19,20,21)/b8-7+
InChIKeyMKBHYNZKEYTMLU-BQYQJAHWSA-N
MW276.34 g/mol
LogP3.27
Rot. Bonds2

About 5-methyl-6-[(E)-2-phenylethenyl]quinazoline-2,4-diamine

5-methyl-6-[(E)-2-phenylethenyl]quinazoline-2,4-diamine (PubChem CID 21248371) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-methyl-6-[(E)-2-phenylethenyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-methyl-6-[(E)-2-phenylethenyl]quinazoline-2,4-diamine
PubChem CID21248371
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name5-methyl-6-[(E)-2-phenylethenyl]quinazoline-2,4-diamine
SMILESCc1c(/C=C/c2ccccc2)ccc2nc(N)nc(N)c12
InChIInChI=1S/C17H16N4/c1-11-13(8-7-12-5-3-2-4-6-12)9-10-14-15(11)16(18)21-17(19)20-14/h2-10H,1H3,(H4,18,19,20,21)/b8-7+
InChIKeyMKBHYNZKEYTMLU-BQYQJAHWSA-N
XLogP3.27
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

5-methylquinazoline-2,4,6-triamine
CID 13413778
5,6-dimethylquinazoline-2,4-diamine
CID 15152355
6-(2-chlorophenyl)-5-methylquinazoline-2,4-diamine
CID 134112794
6-[3-(4-fluorophenyl)-2-methylphenyl]-5-methylquinazoline-2,4-diamine
CID 134113376
5-methyl-6-octylquinazoline-2,4-diamine
CID 14478923
1,2-dimethoxy-3-methyl-4-[(E)-2-phenylethenyl]benzene
CID 10332543
6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4,7-triamine
CID 154099945
7-methyl-8-phenylpyrrolo[3,2-f]quinazoline-1,3-diamine
CID 22767708
3-methyl-5-[(E)-2-phenylethenyl]pyridin-2-amine
CID 50968857
2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene
CID 15751246
1-methyl-4-(2-phenylethenyl)naphthalene
CID 4283155
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[(E)-2-phenylethenyl]quinazoline-2,4-diamine?
The IUPAC name of 5-methyl-6-[(E)-2-phenylethenyl]quinazoline-2,4-diamine (CID 21248371) is 5-methyl-6-[(E)-2-phenylethenyl]quinazoline-2,4-diamine.
What is the SMILES notation for 5-methyl-6-[(E)-2-phenylethenyl]quinazoline-2,4-diamine?
The canonical SMILES for 5-methyl-6-[(E)-2-phenylethenyl]quinazoline-2,4-diamine is Cc1c(/C=C/c2ccccc2)ccc2nc(N)nc(N)c12.
What is the InChIKey of 5-methyl-6-[(E)-2-phenylethenyl]quinazoline-2,4-diamine?
The InChIKey is MKBHYNZKEYTMLU-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H16N4/c1-11-13(8-7-12-5-3-2-4-6-12)9-10-14-15(11)16(18)21-17(19)20-14/h2-10H,1H3,(H4,18,19,20,21)/b8-7+.
What are the key properties of 5-methyl-6-[(E)-2-phenylethenyl]quinazoline-2,4-diamine?
5-methyl-6-[(E)-2-phenylethenyl]quinazoline-2,4-diamine has a molecular weight of 276.34 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[(E)-2-phenylethenyl]quinazoline-2,4-diamine is sourced from PubChem (CID 21248371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).