9-hydroxy-2-(oxetan-3-yl)-6-[(1-phenylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

C22H25N3O4 — CID 86725973

IUPAC9-hydroxy-2-(oxetan-3-yl)-6-[(1-phenylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESO=C1c2c(O)c(=O)nc(CC3(c4ccccc4)CCCC3)n2CCN1C1COC1
InChIInChI=1S/C22H25N3O4/c26-19-18-21(28)24(16-13-29-14-16)10-11-25(18)17(23-20(19)27)12-22(8-4-5-9-22)15-6-2-1-3-7-15/h1-3,6-7,16,26H,4-5,8-14H2
InChIKeyZCEQTNGVMSAKBS-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.86
Rot. Bonds4

About 9-hydroxy-2-(oxetan-3-yl)-6-[(1-phenylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

9-hydroxy-2-(oxetan-3-yl)-6-[(1-phenylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (PubChem CID 86725973) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 9-hydroxy-2-(oxetan-3-yl)-6-[(1-phenylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.

Molecular Properties

Compound Name9-hydroxy-2-(oxetan-3-yl)-6-[(1-phenylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
PubChem CID86725973
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name9-hydroxy-2-(oxetan-3-yl)-6-[(1-phenylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESO=C1c2c(O)c(=O)nc(CC3(c4ccccc4)CCCC3)n2CCN1C1COC1
InChIInChI=1S/C22H25N3O4/c26-19-18-21(28)24(16-13-29-14-16)10-11-25(18)17(23-20(19)27)12-22(8-4-5-9-22)15-6-2-1-3-7-15/h1-3,6-7,16,26H,4-5,8-14H2
InChIKeyZCEQTNGVMSAKBS-UHFFFAOYSA-N
XLogP1.86
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

11-hydroxy-14-[(1-phenylcyclopentyl)methyl]-5-oxa-1,8,13-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
CID 130451935
2-cyclopropyl-6-[(1-phenylcyclopentyl)methyl]-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 86725957
(3S,7R)-11-hydroxy-7-methyl-14-[(1-phenylcyclopentyl)methyl]-4-oxa-1,8,13-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
CID 130451981
6-[[1-(3,4-diethylphenyl)cyclohexyl]methyl]-9-hydroxy-2-methyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 130452103
(3S)-6-[[1-(3-bromophenyl)cyclohexyl]methyl]-9-hydroxy-2,3-dimethyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 130452112
(3R)-6-[[1-(3,5-dimethylphenyl)cyclopentyl]methyl]-9-hydroxy-2-methyl-1,8-dioxo-3,4-dihydropyrazino[1,2-c]pyrimidine-3-carboxylic acid
CID 130452465
6-[[1-(3,5-dimethylphenyl)cyclopentyl]methyl]-9-hydroxy-2-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 130430145
(3S)-6-[[1-[3-(2,3-dihydro-1,2-oxazol-4-yl)phenyl]cyclopentyl]methyl]-9-hydroxy-2,3-dimethyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 130452423
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
9-butoxy-2-(oxetan-3-yl)-6-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 90275022
6-[[1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]cyclopentyl]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 90275098
6-[(1-cyclohepta-1,3,6-trien-1-ylcyclopentyl)methyl]-9-hydroxy-2,3-dimethyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 130452448

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-(oxetan-3-yl)-6-[(1-phenylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The IUPAC name of 9-hydroxy-2-(oxetan-3-yl)-6-[(1-phenylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (CID 86725973) is 9-hydroxy-2-(oxetan-3-yl)-6-[(1-phenylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.
What is the SMILES notation for 9-hydroxy-2-(oxetan-3-yl)-6-[(1-phenylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The canonical SMILES for 9-hydroxy-2-(oxetan-3-yl)-6-[(1-phenylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is O=C1c2c(O)c(=O)nc(CC3(c4ccccc4)CCCC3)n2CCN1C1COC1.
What is the InChIKey of 9-hydroxy-2-(oxetan-3-yl)-6-[(1-phenylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The InChIKey is ZCEQTNGVMSAKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c26-19-18-21(28)24(16-13-29-14-16)10-11-25(18)17(23-20(19)27)12-22(8-4-5-9-22)15-6-2-1-3-7-15/h1-3,6-7,16,26H,4-5,8-14H2.
What are the key properties of 9-hydroxy-2-(oxetan-3-yl)-6-[(1-phenylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
9-hydroxy-2-(oxetan-3-yl)-6-[(1-phenylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione has a molecular weight of 395.46 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-(oxetan-3-yl)-6-[(1-phenylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is sourced from PubChem (CID 86725973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).