(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

C21H21F4N5O — CID 118689784

IUPAC(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
SMILESCc1cnc(C2=NCc3cc(F)c([C@]4(C)C[C@@H](C(F)(F)F)OC(N)=N4)cc3N2)c(C)c1
InChIInChI=1S/C21H21F4N5O/c1-10-4-11(2)17(27-8-10)18-28-9-12-5-14(22)13(6-15(12)29-18)20(3)7-16(21(23,24)25)31-19(26)30-20/h4-6,8,16H,7,9H2,1-3H3,(H2,26,30)(H,28,29)/t16-,20-/m0/s1
InChIKeyMNFXVEVMWJFKGX-JXFKEZNVSA-N
MW435.43 g/mol
LogP4.09
Rot. Bonds2

About (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

(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 (PubChem CID 118689784) has the molecular formula C21H21F4N5O and a molecular weight of 435.43 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID118689784
Molecular FormulaC21H21F4N5O
Molecular Weight435.43 g/mol
Exact Mass435.17
IUPAC Name(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
SMILESCc1cnc(C2=NCc3cc(F)c([C@]4(C)C[C@@H](C(F)(F)F)OC(N)=N4)cc3N2)c(C)c1
InChIInChI=1S/C21H21F4N5O/c1-10-4-11(2)17(27-8-10)18-28-9-12-5-14(22)13(6-15(12)29-18)20(3)7-16(21(23,24)25)31-19(26)30-20/h4-6,8,16H,7,9H2,1-3H3,(H2,26,30)(H,28,29)/t16-,20-/m0/s1
InChIKeyMNFXVEVMWJFKGX-JXFKEZNVSA-N
XLogP4.09
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (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 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-[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
(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
(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
3-[5-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoro-2-methylphenyl]-2-fluorobenzonitrile
CID 86279615
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
2-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanone
CID 161449620
(4S,6S)-4-[2-fluoro-5-(3-pyrimidin-4-yl-1,2-oxazol-5-yl)phenyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
CID 118625845
(4S,6S)-4-[2-fluoro-5-[(3-fluoro-5-methyl-2-pyridinyl)oxy]phenyl]-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
CID 162613366
N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-5-(difluoromethyl)-3-methylpyridine-2-carboxamide
CID 78323012
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cnc(C2=NCc3cc(F)c([C@]4(C)C[C@@H](C(F)(F)F)OC(N)=N4)cc3N2)c(C)c1.
What is the InChIKey of (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?
The InChIKey is MNFXVEVMWJFKGX-JXFKEZNVSA-N. The full InChI is InChI=1S/C21H21F4N5O/c1-10-4-11(2)17(27-8-10)18-28-9-12-5-14(22)13(6-15(12)29-18)20(3)7-16(21(23,24)25)31-19(26)30-20/h4-6,8,16H,7,9H2,1-3H3,(H2,26,30)(H,28,29)/t16-,20-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 435.43 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 118689784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).