4-(4-methoxyphenyl)-3-methylquinazoline-2,4-diamine

C16H18N4O — CID 90947512

IUPAC4-(4-methoxyphenyl)-3-methylquinazoline-2,4-diamine
SMILESCOc1ccc(C2(N)c3ccccc3N=C(N)N2C)cc1
InChIInChI=1S/C16H18N4O/c1-20-15(17)19-14-6-4-3-5-13(14)16(20,18)11-7-9-12(21-2)10-8-11/h3-10H,18H2,1-2H3,(H2,17,19)
InChIKeyXJZQLCURMFRIMF-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.75
Rot. Bonds2

About 4-(4-methoxyphenyl)-3-methylquinazoline-2,4-diamine

4-(4-methoxyphenyl)-3-methylquinazoline-2,4-diamine (PubChem CID 90947512) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-methylquinazoline-2,4-diamine
PubChem CID90947512
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-(4-methoxyphenyl)-3-methylquinazoline-2,4-diamine
SMILESCOc1ccc(C2(N)c3ccccc3N=C(N)N2C)cc1
InChIInChI=1S/C16H18N4O/c1-20-15(17)19-14-6-4-3-5-13(14)16(20,18)11-7-9-12(21-2)10-8-11/h3-10H,18H2,1-2H3,(H2,17,19)
InChIKeyXJZQLCURMFRIMF-UHFFFAOYSA-N
XLogP1.75
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-methylquinazoline-2,4-diamine?
The IUPAC name of 4-(4-methoxyphenyl)-3-methylquinazoline-2,4-diamine (CID 90947512) is 4-(4-methoxyphenyl)-3-methylquinazoline-2,4-diamine.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-methylquinazoline-2,4-diamine?
The canonical SMILES for 4-(4-methoxyphenyl)-3-methylquinazoline-2,4-diamine is COc1ccc(C2(N)c3ccccc3N=C(N)N2C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-methylquinazoline-2,4-diamine?
The InChIKey is XJZQLCURMFRIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-20-15(17)19-14-6-4-3-5-13(14)16(20,18)11-7-9-12(21-2)10-8-11/h3-10H,18H2,1-2H3,(H2,17,19).
What are the key properties of 4-(4-methoxyphenyl)-3-methylquinazoline-2,4-diamine?
4-(4-methoxyphenyl)-3-methylquinazoline-2,4-diamine has a molecular weight of 282.35 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-methylquinazoline-2,4-diamine is sourced from PubChem (CID 90947512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).