7,8-dimethyl-N-[4-(4-methylimidazol-1-yl)-3-(trifluoromethoxy)phenyl]-3,6,7,8a-tetrahydropyrimido[5,4-b][1,4]oxazin-2-amine

C19H21F3N6O2 — CID 144890360

IUPAC7,8-dimethyl-N-[4-(4-methylimidazol-1-yl)-3-(trifluoromethoxy)phenyl]-3,6,7,8a-tetrahydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCc1cn(-c2ccc(NC3=NC4C(=CN3)OCC(C)N4C)cc2OC(F)(F)F)cn1
InChIInChI=1S/C19H21F3N6O2/c1-11-8-28(10-24-11)14-5-4-13(6-15(14)30-19(20,21)22)25-18-23-7-16-17(26-18)27(3)12(2)9-29-16/h4-8,10,12,17H,9H2,1-3H3,(H2,23,25,26)
InChIKeyAFYDZRRIWUBGQO-UHFFFAOYSA-N
MW422.41 g/mol
LogP2.97
Rot. Bonds3

About 7,8-dimethyl-N-[4-(4-methylimidazol-1-yl)-3-(trifluoromethoxy)phenyl]-3,6,7,8a-tetrahydropyrimido[5,4-b][1,4]oxazin-2-amine

7,8-dimethyl-N-[4-(4-methylimidazol-1-yl)-3-(trifluoromethoxy)phenyl]-3,6,7,8a-tetrahydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 144890360) has the molecular formula C19H21F3N6O2 and a molecular weight of 422.41 g/mol. Its IUPAC name is 7,8-dimethyl-N-[4-(4-methylimidazol-1-yl)-3-(trifluoromethoxy)phenyl]-3,6,7,8a-tetrahydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

Compound Name7,8-dimethyl-N-[4-(4-methylimidazol-1-yl)-3-(trifluoromethoxy)phenyl]-3,6,7,8a-tetrahydropyrimido[5,4-b][1,4]oxazin-2-amine
PubChem CID144890360
Molecular FormulaC19H21F3N6O2
Molecular Weight422.41 g/mol
Exact Mass422.17
IUPAC Name7,8-dimethyl-N-[4-(4-methylimidazol-1-yl)-3-(trifluoromethoxy)phenyl]-3,6,7,8a-tetrahydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCc1cn(-c2ccc(NC3=NC4C(=CN3)OCC(C)N4C)cc2OC(F)(F)F)cn1
InChIInChI=1S/C19H21F3N6O2/c1-11-8-28(10-24-11)14-5-4-13(6-15(14)30-19(20,21)22)25-18-23-7-16-17(26-18)27(3)12(2)9-29-16/h4-8,10,12,17H,9H2,1-3H3,(H2,23,25,26)
InChIKeyAFYDZRRIWUBGQO-UHFFFAOYSA-N
XLogP2.97
TPSA75.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7,8-dimethyl-N-[4-(4-methylimidazol-1-yl)-3-(trifluoromethoxy)phenyl]-3,6,7,8a-tetrahydropyrimido[5,4-b][1,4]oxazin-2-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-N-[4-(4-methylimidazol-1-yl)-3-(trifluoromethoxy)phenyl]-3,6,7,8a-tetrahydropyrimido[5,4-b][1,4]oxazin-2-amine?
The IUPAC name of 7,8-dimethyl-N-[4-(4-methylimidazol-1-yl)-3-(trifluoromethoxy)phenyl]-3,6,7,8a-tetrahydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 144890360) is 7,8-dimethyl-N-[4-(4-methylimidazol-1-yl)-3-(trifluoromethoxy)phenyl]-3,6,7,8a-tetrahydropyrimido[5,4-b][1,4]oxazin-2-amine.
What is the SMILES notation for 7,8-dimethyl-N-[4-(4-methylimidazol-1-yl)-3-(trifluoromethoxy)phenyl]-3,6,7,8a-tetrahydropyrimido[5,4-b][1,4]oxazin-2-amine?
The canonical SMILES for 7,8-dimethyl-N-[4-(4-methylimidazol-1-yl)-3-(trifluoromethoxy)phenyl]-3,6,7,8a-tetrahydropyrimido[5,4-b][1,4]oxazin-2-amine is Cc1cn(-c2ccc(NC3=NC4C(=CN3)OCC(C)N4C)cc2OC(F)(F)F)cn1.
What is the InChIKey of 7,8-dimethyl-N-[4-(4-methylimidazol-1-yl)-3-(trifluoromethoxy)phenyl]-3,6,7,8a-tetrahydropyrimido[5,4-b][1,4]oxazin-2-amine?
The InChIKey is AFYDZRRIWUBGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6O2/c1-11-8-28(10-24-11)14-5-4-13(6-15(14)30-19(20,21)22)25-18-23-7-16-17(26-18)27(3)12(2)9-29-16/h4-8,10,12,17H,9H2,1-3H3,(H2,23,25,26).
What are the key properties of 7,8-dimethyl-N-[4-(4-methylimidazol-1-yl)-3-(trifluoromethoxy)phenyl]-3,6,7,8a-tetrahydropyrimido[5,4-b][1,4]oxazin-2-amine?
7,8-dimethyl-N-[4-(4-methylimidazol-1-yl)-3-(trifluoromethoxy)phenyl]-3,6,7,8a-tetrahydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 422.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-N-[4-(4-methylimidazol-1-yl)-3-(trifluoromethoxy)phenyl]-3,6,7,8a-tetrahydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 144890360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).