7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine

C17H18N4O2 — CID 53346506

IUPAC7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine
SMILESCOc1ccc(-c2cc3nc(N)nc(N)c3cc2C)cc1OC
InChIInChI=1S/C17H18N4O2/c1-9-6-12-13(20-17(19)21-16(12)18)8-11(9)10-4-5-14(22-2)15(7-10)23-3/h4-8H,1-3H3,(H4,18,19,20,21)
InChIKeyUGJMRAQTQALEME-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.79
Rot. Bonds3

About 7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine

7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine (PubChem CID 53346506) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine
PubChem CID53346506
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine
SMILESCOc1ccc(-c2cc3nc(N)nc(N)c3cc2C)cc1OC
InChIInChI=1S/C17H18N4O2/c1-9-6-12-13(20-17(19)21-16(12)18)8-11(9)10-4-5-14(22-2)15(7-10)23-3/h4-8H,1-3H3,(H4,18,19,20,21)
InChIKeyUGJMRAQTQALEME-UHFFFAOYSA-N
XLogP2.79
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine (CID 53346506) is 7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine is COc1ccc(-c2cc3nc(N)nc(N)c3cc2C)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine?
The InChIKey is UGJMRAQTQALEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-9-6-12-13(20-17(19)21-16(12)18)8-11(9)10-4-5-14(22-2)15(7-10)23-3/h4-8H,1-3H3,(H4,18,19,20,21).
What are the key properties of 7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine?
7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine has a molecular weight of 310.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine is sourced from PubChem (CID 53346506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).