9-phenylmethoxy-2-propan-2-yl-6-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

C31H28F3N3O4 — CID 90271678

IUPAC9-phenylmethoxy-2-propan-2-yl-6-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESCC(C)N1CCn2c(Cc3ccccc3-c3ccc(OC(F)(F)F)cc3)nc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C31H28F3N3O4/c1-20(2)36-16-17-37-26(35-29(38)28(27(37)30(36)39)40-19-21-8-4-3-5-9-21)18-23-10-6-7-11-25(23)22-12-14-24(15-13-22)41-31(32,33)34/h3-15,20H,16-19H2,1-2H3
InChIKeyFNQYDXWSGLBSSF-UHFFFAOYSA-N
MW563.58 g/mol
LogP5.84
Rot. Bonds8

About 9-phenylmethoxy-2-propan-2-yl-6-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

9-phenylmethoxy-2-propan-2-yl-6-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (PubChem CID 90271678) has the molecular formula C31H28F3N3O4 and a molecular weight of 563.58 g/mol. Its IUPAC name is 9-phenylmethoxy-2-propan-2-yl-6-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.

Molecular Properties

Compound Name9-phenylmethoxy-2-propan-2-yl-6-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
PubChem CID90271678
Molecular FormulaC31H28F3N3O4
Molecular Weight563.58 g/mol
Exact Mass563.20
IUPAC Name9-phenylmethoxy-2-propan-2-yl-6-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESCC(C)N1CCn2c(Cc3ccccc3-c3ccc(OC(F)(F)F)cc3)nc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C31H28F3N3O4/c1-20(2)36-16-17-37-26(35-29(38)28(27(37)30(36)39)40-19-21-8-4-3-5-9-21)18-23-10-6-7-11-25(23)22-12-14-24(15-13-22)41-31(32,33)34/h3-15,20H,16-19H2,1-2H3
InChIKeyFNQYDXWSGLBSSF-UHFFFAOYSA-N
XLogP5.84
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.58
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2,3-dichlorophenyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 86725868
6-[(2-bromophenyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione;9-hydroxy-6-[[2-[4-(hydroxymethyl)phenyl]phenyl]methyl]-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione;(4-methoxyphenyl)boronic acid
CID 159817453
6-[(2-bromophenyl)methyl]-9-butoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 90274925
6-[(1-naphthalen-2-ylcyclopentyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 86725917
carbanide;9-hydroxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione;palladium;9-phenylmethoxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 158164454
6-[(4-oxocyclohexyl)-phenylmethyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 90271929
N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide
CID 118624559
2-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide
CID 118632777
6-[(4-chlorophenyl)-cyclopentylmethyl]-2-methyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 90271907
5-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
CID 67459181
2-cyclopropyl-6-[(1-phenylcyclopentyl)methyl]-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 86725957
2-methyl-5-[[4-(trifluoromethoxy)phenyl]methoxy]-3,4-dihydroisoquinolin-1-one
CID 156892030

Frequently Asked Questions

What is the IUPAC name of 9-phenylmethoxy-2-propan-2-yl-6-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The IUPAC name of 9-phenylmethoxy-2-propan-2-yl-6-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (CID 90271678) is 9-phenylmethoxy-2-propan-2-yl-6-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.
What is the SMILES notation for 9-phenylmethoxy-2-propan-2-yl-6-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The canonical SMILES for 9-phenylmethoxy-2-propan-2-yl-6-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is CC(C)N1CCn2c(Cc3ccccc3-c3ccc(OC(F)(F)F)cc3)nc(=O)c(OCc3ccccc3)c2C1=O.
What is the InChIKey of 9-phenylmethoxy-2-propan-2-yl-6-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The InChIKey is FNQYDXWSGLBSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F3N3O4/c1-20(2)36-16-17-37-26(35-29(38)28(27(37)30(36)39)40-19-21-8-4-3-5-9-21)18-23-10-6-7-11-25(23)22-12-14-24(15-13-22)41-31(32,33)34/h3-15,20H,16-19H2,1-2H3.
What are the key properties of 9-phenylmethoxy-2-propan-2-yl-6-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
9-phenylmethoxy-2-propan-2-yl-6-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione has a molecular weight of 563.58 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenylmethoxy-2-propan-2-yl-6-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is sourced from PubChem (CID 90271678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).