6,7-difluoro-3,8a-dihydroquinazolin-4-amine

C8H7F2N3 — CID 144514786

IUPAC6,7-difluoro-3,8a-dihydroquinazolin-4-amine
SMILESNC1=C2C=C(F)C(F)=CC2N=CN1
InChIInChI=1S/C8H7F2N3/c9-5-1-4-7(2-6(5)10)12-3-13-8(4)11/h1-3,7H,11H2,(H,12,13)
InChIKeyGRCOMCUGXLGCOP-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.88
Rot. Bonds

About 6,7-difluoro-3,8a-dihydroquinazolin-4-amine

6,7-difluoro-3,8a-dihydroquinazolin-4-amine (PubChem CID 144514786) has the molecular formula C8H7F2N3 and a molecular weight of 183.16 g/mol. Its IUPAC name is 6,7-difluoro-3,8a-dihydroquinazolin-4-amine.

Molecular Properties

Compound Name6,7-difluoro-3,8a-dihydroquinazolin-4-amine
PubChem CID144514786
Molecular FormulaC8H7F2N3
Molecular Weight183.16 g/mol
Exact Mass183.06
IUPAC Name6,7-difluoro-3,8a-dihydroquinazolin-4-amine
SMILESNC1=C2C=C(F)C(F)=CC2N=CN1
InChIInChI=1S/C8H7F2N3/c9-5-1-4-7(2-6(5)10)12-3-13-8(4)11/h1-3,7H,11H2,(H,12,13)
InChIKeyGRCOMCUGXLGCOP-UHFFFAOYSA-N
XLogP0.88
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Fluoro-4-iodo-3,8a-dihydroquinazoline
CID 164115349
4-Methyl-6-(trifluoromethyl)-3,8a-dihydroquinazoline
CID 149166937
6-fluoro-N-methyl-3,8a-dihydroquinazolin-4-amine
CID 153370422
3,8a-Dihydroquinazoline
CID 91312252

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3,8a-dihydroquinazolin-4-amine?
The IUPAC name of 6,7-difluoro-3,8a-dihydroquinazolin-4-amine (CID 144514786) is 6,7-difluoro-3,8a-dihydroquinazolin-4-amine.
What is the SMILES notation for 6,7-difluoro-3,8a-dihydroquinazolin-4-amine?
The canonical SMILES for 6,7-difluoro-3,8a-dihydroquinazolin-4-amine is NC1=C2C=C(F)C(F)=CC2N=CN1.
What is the InChIKey of 6,7-difluoro-3,8a-dihydroquinazolin-4-amine?
The InChIKey is GRCOMCUGXLGCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3/c9-5-1-4-7(2-6(5)10)12-3-13-8(4)11/h1-3,7H,11H2,(H,12,13).
What are the key properties of 6,7-difluoro-3,8a-dihydroquinazolin-4-amine?
6,7-difluoro-3,8a-dihydroquinazolin-4-amine has a molecular weight of 183.16 g/mol, XLogP of 0.88, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3,8a-dihydroquinazolin-4-amine is sourced from PubChem (CID 144514786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).