7-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4H-pyrimido[4,5-d][1,3]oxazin-2-one

C26H22F3N7O3 — CID 165400953

IUPAC7-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4H-pyrimido[4,5-d][1,3]oxazin-2-one
SMILESCOc1ncnc(C2CC2)c1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)C(=O)OC2
InChIInChI=1S/C26H22F3N7O3/c1-35-11-18(26(27,28)29)33-22(35)16-5-3-14(4-6-16)10-36-23-17(12-39-25(36)37)9-30-21(34-23)19-20(15-7-8-15)31-13-32-24(19)38-2/h3-6,9,11,13,15H,7-8,10,12H2,1-2H3
InChIKeyWCNAPUMKHFBXLE-UHFFFAOYSA-N
MW537.50 g/mol
LogP4.90
Rot. Bonds6

About 7-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4H-pyrimido[4,5-d][1,3]oxazin-2-one

7-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4H-pyrimido[4,5-d][1,3]oxazin-2-one (PubChem CID 165400953) has the molecular formula C26H22F3N7O3 and a molecular weight of 537.50 g/mol. Its IUPAC name is 7-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4H-pyrimido[4,5-d][1,3]oxazin-2-one.

Molecular Properties

Compound Name7-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4H-pyrimido[4,5-d][1,3]oxazin-2-one
PubChem CID165400953
Molecular FormulaC26H22F3N7O3
Molecular Weight537.50 g/mol
Exact Mass537.17
IUPAC Name7-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4H-pyrimido[4,5-d][1,3]oxazin-2-one
SMILESCOc1ncnc(C2CC2)c1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)C(=O)OC2
InChIInChI=1S/C26H22F3N7O3/c1-35-11-18(26(27,28)29)33-22(35)16-5-3-14(4-6-16)10-36-23-17(12-39-25(36)37)9-30-21(34-23)19-20(15-7-8-15)31-13-32-24(19)38-2/h3-6,9,11,13,15H,7-8,10,12H2,1-2H3
InChIKeyWCNAPUMKHFBXLE-UHFFFAOYSA-N
XLogP4.90
TPSA108.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.50
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4H-pyrimido[4,5-d][1,3]oxazin-2-one with MolForge

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Related Compounds

7'-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1'-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]spiro[cyclopropane-1,4'-pyrimido[4,5-d][1,3]oxazine]-2'-one
CID 165400955
7-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[4-(1,1-difluoroethyl)-1-methylimidazol-2-yl]phenyl]methyl]-4,4-dimethylpyrimido[4,5-d][1,3]oxazin-2-one
CID 175612016
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-methyl-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine
CID 165401014
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimido[5,4-b][1,4]oxazin-7-one
CID 171056974
5-cyclopropyl-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7,7-difluoro-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-8H-pyrimido[4,5-b][1,4]diazepin-6-one
CID 167494714
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5-(2,2,2-trifluoroethyl)-6,7-dihydropteridin-6-ol
CID 165401011
7'-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1'-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]spiro[cyclopropane-1,4'-pyrimido[4,5-d][1,3]oxazine]-2'-one
CID 175612225
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-(trideuteriomethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
CID 151526121
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
CID 172584334
4-cyclopropyl-6-methoxy-5-[4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine
CID 172585633
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(difluoromethoxy)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
CID 172586423
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 170095696

Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4H-pyrimido[4,5-d][1,3]oxazin-2-one?
The IUPAC name of 7-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4H-pyrimido[4,5-d][1,3]oxazin-2-one (CID 165400953) is 7-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4H-pyrimido[4,5-d][1,3]oxazin-2-one.
What is the SMILES notation for 7-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4H-pyrimido[4,5-d][1,3]oxazin-2-one?
The canonical SMILES for 7-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4H-pyrimido[4,5-d][1,3]oxazin-2-one is COc1ncnc(C2CC2)c1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)C(=O)OC2.
What is the InChIKey of 7-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4H-pyrimido[4,5-d][1,3]oxazin-2-one?
The InChIKey is WCNAPUMKHFBXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N7O3/c1-35-11-18(26(27,28)29)33-22(35)16-5-3-14(4-6-16)10-36-23-17(12-39-25(36)37)9-30-21(34-23)19-20(15-7-8-15)31-13-32-24(19)38-2/h3-6,9,11,13,15H,7-8,10,12H2,1-2H3.
What are the key properties of 7-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4H-pyrimido[4,5-d][1,3]oxazin-2-one?
7-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4H-pyrimido[4,5-d][1,3]oxazin-2-one has a molecular weight of 537.50 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4H-pyrimido[4,5-d][1,3]oxazin-2-one is sourced from PubChem (CID 165400953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).