6,7-dimethoxyquinazoline-2,4-diamine

C10H12N4O2 — CID 4122435

IUPAC6,7-dimethoxyquinazoline-2,4-diamine
SMILESCOc1cc2nc(N)nc(N)c2cc1OC
InChIInChI=1S/C10H12N4O2/c1-15-7-3-5-6(4-8(7)16-2)13-10(12)14-9(5)11/h3-4H,1-2H3,(H4,11,12,13,14)
InChIKeyZCIPYVXKMWNKLZ-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.81
Rot. Bonds2

About 6,7-dimethoxyquinazoline-2,4-diamine

6,7-dimethoxyquinazoline-2,4-diamine (PubChem CID 4122435) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 6,7-dimethoxyquinazoline-2,4-diamine.

Molecular Properties

Compound Name6,7-dimethoxyquinazoline-2,4-diamine
PubChem CID4122435
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name6,7-dimethoxyquinazoline-2,4-diamine
SMILESCOc1cc2nc(N)nc(N)c2cc1OC
InChIInChI=1S/C10H12N4O2/c1-15-7-3-5-6(4-8(7)16-2)13-10(12)14-9(5)11/h3-4H,1-2H3,(H4,11,12,13,14)
InChIKeyZCIPYVXKMWNKLZ-UHFFFAOYSA-N
XLogP0.81
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxyquinazoline-2,4-diamine?
The IUPAC name of 6,7-dimethoxyquinazoline-2,4-diamine (CID 4122435) is 6,7-dimethoxyquinazoline-2,4-diamine.
What is the SMILES notation for 6,7-dimethoxyquinazoline-2,4-diamine?
The canonical SMILES for 6,7-dimethoxyquinazoline-2,4-diamine is COc1cc2nc(N)nc(N)c2cc1OC.
What is the InChIKey of 6,7-dimethoxyquinazoline-2,4-diamine?
The InChIKey is ZCIPYVXKMWNKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-15-7-3-5-6(4-8(7)16-2)13-10(12)14-9(5)11/h3-4H,1-2H3,(H4,11,12,13,14).
What are the key properties of 6,7-dimethoxyquinazoline-2,4-diamine?
6,7-dimethoxyquinazoline-2,4-diamine has a molecular weight of 220.23 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxyquinazoline-2,4-diamine is sourced from PubChem (CID 4122435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).