(4S,6S)-4-[2-[5-(difluoromethoxy)pyrazin-2-yl]-6-fluoro-1,4-dihydroquinazolin-7-yl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine

C19H16F6N6O2 — CID 118678227

IUPAC(4S,6S)-4-[2-[5-(difluoromethoxy)pyrazin-2-yl]-6-fluoro-1,4-dihydroquinazolin-7-yl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
SMILESC[C@@]1(c2cc3c(cc2F)CN=C(c2cnc(OC(F)F)cn2)N3)C[C@@H](C(F)(F)F)OC(N)=N1
InChIInChI=1S/C19H16F6N6O2/c1-18(4-13(19(23,24)25)32-17(26)31-18)9-3-11-8(2-10(9)20)5-29-15(30-11)12-6-28-14(7-27-12)33-16(21)22/h2-3,6-7,13,16H,4-5H2,1H3,(H2,26,31)(H,29,30)/t13-,18-/m0/s1
InChIKeyGPNBOVDGJQLYQI-UGSOOPFHSA-N
MW474.37 g/mol
LogP3.47
Rot. Bonds4

About (4S,6S)-4-[2-[5-(difluoromethoxy)pyrazin-2-yl]-6-fluoro-1,4-dihydroquinazolin-7-yl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine

(4S,6S)-4-[2-[5-(difluoromethoxy)pyrazin-2-yl]-6-fluoro-1,4-dihydroquinazolin-7-yl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine (PubChem CID 118678227) has the molecular formula C19H16F6N6O2 and a molecular weight of 474.37 g/mol. Its IUPAC name is (4S,6S)-4-[2-[5-(difluoromethoxy)pyrazin-2-yl]-6-fluoro-1,4-dihydroquinazolin-7-yl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine.

Molecular Properties

Compound Name(4S,6S)-4-[2-[5-(difluoromethoxy)pyrazin-2-yl]-6-fluoro-1,4-dihydroquinazolin-7-yl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
PubChem CID118678227
Molecular FormulaC19H16F6N6O2
Molecular Weight474.37 g/mol
Exact Mass474.12
IUPAC Name(4S,6S)-4-[2-[5-(difluoromethoxy)pyrazin-2-yl]-6-fluoro-1,4-dihydroquinazolin-7-yl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
SMILESC[C@@]1(c2cc3c(cc2F)CN=C(c2cnc(OC(F)F)cn2)N3)C[C@@H](C(F)(F)F)OC(N)=N1
InChIInChI=1S/C19H16F6N6O2/c1-18(4-13(19(23,24)25)32-17(26)31-18)9-3-11-8(2-10(9)20)5-29-15(30-11)12-6-28-14(7-27-12)33-16(21)22/h2-3,6-7,13,16H,4-5H2,1H3,(H2,26,31)(H,29,30)/t13-,18-/m0/s1
InChIKeyGPNBOVDGJQLYQI-UGSOOPFHSA-N
XLogP3.47
TPSA107.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4S,6S)-4-[2-[5-(difluoromethoxy)pyrazin-2-yl]-6-fluoro-1,4-dihydroquinazolin-7-yl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,6S)-4-[2-(3,5-dimethyl-2-pyridinyl)-6-fluoro-1,4-dihydroquinazolin-7-yl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
CID 118689784
(4S,6S)-4-(fluoromethyl)-4-[6-fluoro-2-(5-methyl-2-pyridinyl)-1,4-dihydroquinazolin-7-yl]-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
CID 145003277
(4S,6S)-4-[2-(5-chloro-2-pyridinyl)-6-fluoro-1,4-dihydroquinazolin-7-yl]-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
CID 118678224
4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
CID 78143397
N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 71667594
2-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-[5-(difluoromethoxy)-3-methyl-2-pyridinyl]ethanone
CID 157408110
2-[5-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-fluoro-3-pyridinyl]-1-(5-methoxypyrazin-2-yl)ethanone
CID 158617654
(4S,6S)-4-[5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
CID 90303897
5-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]pyridine-3-carbonitrile
CID 86279218
N-[3-[2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 123775451
2-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[5-(trifluoromethoxy)-2-pyridinyl]ethanone
CID 146911257
4-[2-(5-but-2-ynoxy-2-pyridinyl)-6-fluoro-1,4-dihydroquinazolin-7-yl]-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine
CID 118368708

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4-[2-[5-(difluoromethoxy)pyrazin-2-yl]-6-fluoro-1,4-dihydroquinazolin-7-yl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine?
The IUPAC name of (4S,6S)-4-[2-[5-(difluoromethoxy)pyrazin-2-yl]-6-fluoro-1,4-dihydroquinazolin-7-yl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine (CID 118678227) is (4S,6S)-4-[2-[5-(difluoromethoxy)pyrazin-2-yl]-6-fluoro-1,4-dihydroquinazolin-7-yl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine.
What is the SMILES notation for (4S,6S)-4-[2-[5-(difluoromethoxy)pyrazin-2-yl]-6-fluoro-1,4-dihydroquinazolin-7-yl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine?
The canonical SMILES for (4S,6S)-4-[2-[5-(difluoromethoxy)pyrazin-2-yl]-6-fluoro-1,4-dihydroquinazolin-7-yl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine is C[C@@]1(c2cc3c(cc2F)CN=C(c2cnc(OC(F)F)cn2)N3)C[C@@H](C(F)(F)F)OC(N)=N1.
What is the InChIKey of (4S,6S)-4-[2-[5-(difluoromethoxy)pyrazin-2-yl]-6-fluoro-1,4-dihydroquinazolin-7-yl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine?
The InChIKey is GPNBOVDGJQLYQI-UGSOOPFHSA-N. The full InChI is InChI=1S/C19H16F6N6O2/c1-18(4-13(19(23,24)25)32-17(26)31-18)9-3-11-8(2-10(9)20)5-29-15(30-11)12-6-28-14(7-27-12)33-16(21)22/h2-3,6-7,13,16H,4-5H2,1H3,(H2,26,31)(H,29,30)/t13-,18-/m0/s1.
What are the key properties of (4S,6S)-4-[2-[5-(difluoromethoxy)pyrazin-2-yl]-6-fluoro-1,4-dihydroquinazolin-7-yl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine?
(4S,6S)-4-[2-[5-(difluoromethoxy)pyrazin-2-yl]-6-fluoro-1,4-dihydroquinazolin-7-yl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine has a molecular weight of 474.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4-[2-[5-(difluoromethoxy)pyrazin-2-yl]-6-fluoro-1,4-dihydroquinazolin-7-yl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine is sourced from PubChem (CID 118678227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).