2-N-(3,4-dimethylphenyl)-6,7-dimethoxyquinazoline-2,4-diamine

C18H20N4O2 — CID 15989995

IUPAC2-N-(3,4-dimethylphenyl)-6,7-dimethoxyquinazoline-2,4-diamine
SMILESCOc1cc2nc(Nc3ccc(C)c(C)c3)nc(N)c2cc1OC
InChIInChI=1S/C18H20N4O2/c1-10-5-6-12(7-11(10)2)20-18-21-14-9-16(24-4)15(23-3)8-13(14)17(19)22-18/h5-9H,1-4H3,(H3,19,20,21,22)
InChIKeySDANCVKNDHKHSF-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.59
Rot. Bonds4

About 2-N-(3,4-dimethylphenyl)-6,7-dimethoxyquinazoline-2,4-diamine

2-N-(3,4-dimethylphenyl)-6,7-dimethoxyquinazoline-2,4-diamine (PubChem CID 15989995) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-N-(3,4-dimethylphenyl)-6,7-dimethoxyquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-dimethylphenyl)-6,7-dimethoxyquinazoline-2,4-diamine
PubChem CID15989995
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-N-(3,4-dimethylphenyl)-6,7-dimethoxyquinazoline-2,4-diamine
SMILESCOc1cc2nc(Nc3ccc(C)c(C)c3)nc(N)c2cc1OC
InChIInChI=1S/C18H20N4O2/c1-10-5-6-12(7-11(10)2)20-18-21-14-9-16(24-4)15(23-3)8-13(14)17(19)22-18/h5-9H,1-4H3,(H3,19,20,21,22)
InChIKeySDANCVKNDHKHSF-UHFFFAOYSA-N
XLogP3.59
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethylphenyl)-6,7-dimethoxyquinazoline-2,4-diamine?
The IUPAC name of 2-N-(3,4-dimethylphenyl)-6,7-dimethoxyquinazoline-2,4-diamine (CID 15989995) is 2-N-(3,4-dimethylphenyl)-6,7-dimethoxyquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-dimethylphenyl)-6,7-dimethoxyquinazoline-2,4-diamine?
The canonical SMILES for 2-N-(3,4-dimethylphenyl)-6,7-dimethoxyquinazoline-2,4-diamine is COc1cc2nc(Nc3ccc(C)c(C)c3)nc(N)c2cc1OC.
What is the InChIKey of 2-N-(3,4-dimethylphenyl)-6,7-dimethoxyquinazoline-2,4-diamine?
The InChIKey is SDANCVKNDHKHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-10-5-6-12(7-11(10)2)20-18-21-14-9-16(24-4)15(23-3)8-13(14)17(19)22-18/h5-9H,1-4H3,(H3,19,20,21,22).
What are the key properties of 2-N-(3,4-dimethylphenyl)-6,7-dimethoxyquinazoline-2,4-diamine?
2-N-(3,4-dimethylphenyl)-6,7-dimethoxyquinazoline-2,4-diamine has a molecular weight of 324.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethylphenyl)-6,7-dimethoxyquinazoline-2,4-diamine is sourced from PubChem (CID 15989995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).