3-(2,4-diamino-5-methylquinazolin-6-yl)phenol

C15H14N4O — CID 70691316

IUPAC3-(2,4-diamino-5-methylquinazolin-6-yl)phenol
SMILESCc1c(-c2cccc(O)c2)ccc2nc(N)nc(N)c12
InChIInChI=1S/C15H14N4O/c1-8-11(9-3-2-4-10(20)7-9)5-6-12-13(8)14(16)19-15(17)18-12/h2-7,20H,1H3,(H4,16,17,18,19)
InChIKeyQMFPVKAPPQFZPQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.48
Rot. Bonds1

About 3-(2,4-diamino-5-methylquinazolin-6-yl)phenol

3-(2,4-diamino-5-methylquinazolin-6-yl)phenol (PubChem CID 70691316) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(2,4-diamino-5-methylquinazolin-6-yl)phenol.

Molecular Properties

Compound Name3-(2,4-diamino-5-methylquinazolin-6-yl)phenol
PubChem CID70691316
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-(2,4-diamino-5-methylquinazolin-6-yl)phenol
SMILESCc1c(-c2cccc(O)c2)ccc2nc(N)nc(N)c12
InChIInChI=1S/C15H14N4O/c1-8-11(9-3-2-4-10(20)7-9)5-6-12-13(8)14(16)19-15(17)18-12/h2-7,20H,1H3,(H4,16,17,18,19)
InChIKeyQMFPVKAPPQFZPQ-UHFFFAOYSA-N
XLogP2.48
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-diamino-5-methylquinazolin-6-yl)phenol?
The IUPAC name of 3-(2,4-diamino-5-methylquinazolin-6-yl)phenol (CID 70691316) is 3-(2,4-diamino-5-methylquinazolin-6-yl)phenol.
What is the SMILES notation for 3-(2,4-diamino-5-methylquinazolin-6-yl)phenol?
The canonical SMILES for 3-(2,4-diamino-5-methylquinazolin-6-yl)phenol is Cc1c(-c2cccc(O)c2)ccc2nc(N)nc(N)c12.
What is the InChIKey of 3-(2,4-diamino-5-methylquinazolin-6-yl)phenol?
The InChIKey is QMFPVKAPPQFZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-8-11(9-3-2-4-10(20)7-9)5-6-12-13(8)14(16)19-15(17)18-12/h2-7,20H,1H3,(H4,16,17,18,19).
What are the key properties of 3-(2,4-diamino-5-methylquinazolin-6-yl)phenol?
3-(2,4-diamino-5-methylquinazolin-6-yl)phenol has a molecular weight of 266.30 g/mol, XLogP of 2.48, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-diamino-5-methylquinazolin-6-yl)phenol is sourced from PubChem (CID 70691316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).