8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine

C26H25F3N6O — CID 165400899

IUPAC8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine
SMILESCC(C)c1ncccc1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)CCO2
InChIInChI=1S/C26H25F3N6O/c1-16(2)22-19(5-4-10-30-22)23-31-13-20-25(33-23)35(11-12-36-20)14-17-6-8-18(9-7-17)24-32-21(15-34(24)3)26(27,28)29/h4-10,13,15-16H,11-12,14H2,1-3H3
InChIKeyWYTOQOHZMQIASO-UHFFFAOYSA-N
MW494.52 g/mol
LogP5.48
Rot. Bonds5

About 8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine

8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine (PubChem CID 165400899) has the molecular formula C26H25F3N6O and a molecular weight of 494.52 g/mol. Its IUPAC name is 8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine.

Molecular Properties

Compound Name8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine
PubChem CID165400899
Molecular FormulaC26H25F3N6O
Molecular Weight494.52 g/mol
Exact Mass494.20
IUPAC Name8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine
SMILESCC(C)c1ncccc1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)CCO2
InChIInChI=1S/C26H25F3N6O/c1-16(2)22-19(5-4-10-30-22)23-31-13-20-25(33-23)35(11-12-36-20)14-17-6-8-18(9-7-17)24-32-21(15-34(24)3)26(27,28)29/h4-10,13,15-16H,11-12,14H2,1-3H3
InChIKeyWYTOQOHZMQIASO-UHFFFAOYSA-N
XLogP5.48
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.52
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The IUPAC name of 8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine (CID 165400899) is 8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine.
What is the SMILES notation for 8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The canonical SMILES for 8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine is CC(C)c1ncccc1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)CCO2.
What is the InChIKey of 8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The InChIKey is WYTOQOHZMQIASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O/c1-16(2)22-19(5-4-10-30-22)23-31-13-20-25(33-23)35(11-12-36-20)14-17-6-8-18(9-7-17)24-32-21(15-34(24)3)26(27,28)29/h4-10,13,15-16H,11-12,14H2,1-3H3.
What are the key properties of 8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine has a molecular weight of 494.52 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine is sourced from PubChem (CID 165400899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).