2-chloro-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine;methane;3-methoxy-4-(2-methyl-4-pyridinyl)aniline;N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

C55H53ClF6N10O4 — CID 158044675

About 2-chloro-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine;methane;3-methoxy-4-(2-methyl-4-pyridinyl)aniline;N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

2-chloro-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine;methane;3-methoxy-4-(2-methyl-4-pyridinyl)aniline;N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 158044675) has the molecular formula C55H53ClF6N10O4 and a molecular weight of 1067.54 g/mol. Its IUPAC name is 2-chloro-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine;methane;3-methoxy-4-(2-methyl-4-pyridinyl)aniline;N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

• Compound Name: 2-chloro-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine;methane;3-methoxy-4-(2-methyl-4-pyridinyl)aniline;N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
• PubChem CID: 158044675
• Molecular Formula: C55H53ClF6N10O4
• Molecular Weight: 1067.54 g/mol
• Exact Mass: 1066.38
• IUPAC Name: 2-chloro-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine;methane;3-methoxy-4-(2-methyl-4-pyridinyl)aniline;N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
• SMILES: C.CN1c2nc(Cl)ncc2OCC1c1ccccc1C(F)(F)F.COc1cc(N)ccc1-c1ccnc(C)c1.COc1cc(Nc2ncc3c(n2)N(C)C(c2ccccc2C(F)(F)F)CO3)ccc1-c1ccnc(C)c1
• InChI: InChI=1S/C27H24F3N5O2.C14H11ClF3N3O.C13H14N2O.CH4/c1-16-12-17(10-11-31-16)19-9-8-18(13-23(19)36-3)33-26-32-14-24-25(34-26)35(2)22(15-37-24)20-6-4-5-7-21(20)27(28,29)30;1-21-10(7-22-11-6-19-13(15)20-12(11)21)8-4-2-3-5-9(8)14(16,17)18;1-9-7-10(5-6-15-9)12-4-3-11(14)8-13(12)16-2;/h4-14,22H,15H2,1-3H3,(H,32,33,34);2-6,10H,7H2,1H3;3-8H,14H2,1-2H3;1H4
• InChIKey: FITNSDUCASNSLG-UHFFFAOYSA-N
• XLogP: 13.19
• TPSA: 158.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1067.54
LogP ≤ 5	13.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine;methane;3-methoxy-4-(2-methyl-4-pyridinyl)aniline;N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?

The IUPAC name of 2-chloro-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine;methane;3-methoxy-4-(2-methyl-4-pyridinyl)aniline;N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 158044675) is 2-chloro-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine;methane;3-methoxy-4-(2-methyl-4-pyridinyl)aniline;N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

What is the SMILES notation for 2-chloro-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine;methane;3-methoxy-4-(2-methyl-4-pyridinyl)aniline;N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?

The canonical SMILES for 2-chloro-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine;methane;3-methoxy-4-(2-methyl-4-pyridinyl)aniline;N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is C.CN1c2nc(Cl)ncc2OCC1c1ccccc1C(F)(F)F.COc1cc(N)ccc1-c1ccnc(C)c1.COc1cc(Nc2ncc3c(n2)N(C)C(c2ccccc2C(F)(F)F)CO3)ccc1-c1ccnc(C)c1.

What is the InChIKey of 2-chloro-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine;methane;3-methoxy-4-(2-methyl-4-pyridinyl)aniline;N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?

The InChIKey is FITNSDUCASNSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N5O2.C14H11ClF3N3O.C13H14N2O.CH4/c1-16-12-17(10-11-31-16)19-9-8-18(13-23(19)36-3)33-26-32-14-24-25(34-26)35(2)22(15-37-24)20-6-4-5-7-21(20)27(28,29)30;1-21-10(7-22-11-6-19-13(15)20-12(11)21)8-4-2-3-5-9(8)14(16,17)18;1-9-7-10(5-6-15-9)12-4-3-11(14)8-13(12)16-2;/h4-14,22H,15H2,1-3H3,(H,32,33,34);2-6,10H,7H2,1H3;3-8H,14H2,1-2H3;1H4.

What are the key properties of 2-chloro-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine;methane;3-methoxy-4-(2-methyl-4-pyridinyl)aniline;N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?

2-chloro-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine;methane;3-methoxy-4-(2-methyl-4-pyridinyl)aniline;N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 1067.54 g/mol, XLogP of 13.19, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine;methane;3-methoxy-4-(2-methyl-4-pyridinyl)aniline;N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 158044675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).