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

C28H27N7O3 — CID 175612225

IUPAC7'-(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
SMILESCOc1ncnc(C2CC2)c1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C)cn3C)cc1)C(=O)OC21CC1
InChIInChI=1S/C28H27N7O3/c1-16-13-34(2)24(32-16)19-6-4-17(5-7-19)14-35-25-20(28(10-11-28)38-27(35)36)12-29-23(33-25)21-22(18-8-9-18)30-15-31-26(21)37-3/h4-7,12-13,15,18H,8-11,14H2,1-3H3
InChIKeySZUZCVRQJRLJEX-UHFFFAOYSA-N
MW509.57 g/mol
LogP4.67
Rot. Bonds6

About 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

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 (PubChem CID 175612225) has the molecular formula C28H27N7O3 and a molecular weight of 509.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7'-(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
PubChem CID175612225
Molecular FormulaC28H27N7O3
Molecular Weight509.57 g/mol
Exact Mass509.22
IUPAC Name7'-(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
SMILESCOc1ncnc(C2CC2)c1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C)cn3C)cc1)C(=O)OC21CC1
InChIInChI=1S/C28H27N7O3/c1-16-13-34(2)24(32-16)19-6-4-17(5-7-19)14-35-25-20(28(10-11-28)38-27(35)36)12-29-23(33-25)21-22(18-8-9-18)30-15-31-26(21)37-3/h4-7,12-13,15,18H,8-11,14H2,1-3H3
InChIKeySZUZCVRQJRLJEX-UHFFFAOYSA-N
XLogP4.67
TPSA108.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.57
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 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
7'-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1'-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]spiro[cyclopropane-1,4'-pyrimido[4,5-d][1,3]oxazine]-2'-one
CID 165400948
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
7'-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1'-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]spiro[oxetane-3,4'-pyrimido[4,5-d][1,3]oxazine]-2'-one
CID 165400900
7-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[4-(1,1-difluoroethyl)-1-methylimidazol-2-yl]-3-fluorophenyl]methyl]-4,4-dimethylpyrimido[4,5-d][1,3]oxazin-2-one
CID 175612093
6-[4-cyclopropyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine
CID 171762887
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
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-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimido[5,4-b][1,4]oxazin-7-one
CID 171056974
7-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-1-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]phenyl]methyl]-4,4-dimethylpyrimido[4,5-d][1,3]oxazin-2-one
CID 175613423
6-(4,6-dimethoxypyrimidin-5-yl)-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine
CID 171762926

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ncnc(C2CC2)c1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C)cn3C)cc1)C(=O)OC21CC1.
What is the InChIKey of 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?
The InChIKey is SZUZCVRQJRLJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O3/c1-16-13-34(2)24(32-16)19-6-4-17(5-7-19)14-35-25-20(28(10-11-28)38-27(35)36)12-29-23(33-25)21-22(18-8-9-18)30-15-31-26(21)37-3/h4-7,12-13,15,18H,8-11,14H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 509.57 g/mol, XLogP of 4.67, 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-(1,4-dimethylimidazol-2-yl)phenyl]methyl]spiro[cyclopropane-1,4'-pyrimido[4,5-d][1,3]oxazine]-2'-one is sourced from PubChem (CID 175612225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).