6-N-(1,3-oxazol-2-yl)quinazoline-4,6-diamine

C11H9N5O — CID 177191894

IUPAC6-N-(1,3-oxazol-2-yl)quinazoline-4,6-diamine
SMILESNc1ncnc2ccc(Nc3ncco3)cc12
InChIInChI=1S/C11H9N5O/c12-10-8-5-7(16-11-13-3-4-17-11)1-2-9(8)14-6-15-10/h1-6H,(H,13,16)(H2,12,14,15)
InChIKeyRZTPYVLJHLAZNZ-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.94
Rot. Bonds2

About 6-N-(1,3-oxazol-2-yl)quinazoline-4,6-diamine

6-N-(1,3-oxazol-2-yl)quinazoline-4,6-diamine (PubChem CID 177191894) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 6-N-(1,3-oxazol-2-yl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name6-N-(1,3-oxazol-2-yl)quinazoline-4,6-diamine
PubChem CID177191894
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name6-N-(1,3-oxazol-2-yl)quinazoline-4,6-diamine
SMILESNc1ncnc2ccc(Nc3ncco3)cc12
InChIInChI=1S/C11H9N5O/c12-10-8-5-7(16-11-13-3-4-17-11)1-2-9(8)14-6-15-10/h1-6H,(H,13,16)(H2,12,14,15)
InChIKeyRZTPYVLJHLAZNZ-UHFFFAOYSA-N
XLogP1.94
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-tert-butylquinazolin-4-amine
CID 58008725
2-methoxy-4-(1,3-oxazol-2-ylamino)benzonitrile
CID 70018992
6-(trifluoromethoxy)quinazolin-4-amine
CID 156900146
6-pyrrolidin-1-ylquinazolin-4-amine
CID 20718876
hydron;quinazolin-4-amine
CID 174478214
azane;quinazolin-4-amine
CID 172800040
N-(4-aminoquinazolin-6-yl)-3-[(2-methylsulfonylacetyl)amino]propanamide
CID 141145315
tert-butyl N-[4-(4-aminoquinazolin-6-yl)phenyl]carbamate
CID 72705111
6,7-ditert-butylquinazolin-4-amine
CID 59066322
4-N-(4-iodophenyl)quinazoline-4,6-diamine
CID 64588865
4-N-(4-fluorophenyl)quinazoline-4,6-diamine
CID 64590257
6-(5-ethylthiophen-2-yl)quinazolin-4-amine
CID 138579635

Frequently Asked Questions

What is the IUPAC name of 6-N-(1,3-oxazol-2-yl)quinazoline-4,6-diamine?
The IUPAC name of 6-N-(1,3-oxazol-2-yl)quinazoline-4,6-diamine (CID 177191894) is 6-N-(1,3-oxazol-2-yl)quinazoline-4,6-diamine.
What is the SMILES notation for 6-N-(1,3-oxazol-2-yl)quinazoline-4,6-diamine?
The canonical SMILES for 6-N-(1,3-oxazol-2-yl)quinazoline-4,6-diamine is Nc1ncnc2ccc(Nc3ncco3)cc12.
What is the InChIKey of 6-N-(1,3-oxazol-2-yl)quinazoline-4,6-diamine?
The InChIKey is RZTPYVLJHLAZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c12-10-8-5-7(16-11-13-3-4-17-11)1-2-9(8)14-6-15-10/h1-6H,(H,13,16)(H2,12,14,15).
What are the key properties of 6-N-(1,3-oxazol-2-yl)quinazoline-4,6-diamine?
6-N-(1,3-oxazol-2-yl)quinazoline-4,6-diamine has a molecular weight of 227.23 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1,3-oxazol-2-yl)quinazoline-4,6-diamine is sourced from PubChem (CID 177191894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).