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

C24H28F3N3O3 — CID 130430145

IUPAC6-[[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
SMILESCc1cc(C)cc(C2(Cc3nc(=O)c(O)c4n3CCN([C@H](C)C(F)(F)F)C4=O)CCCC2)c1
InChIInChI=1S/C24H28F3N3O3/c1-14-10-15(2)12-17(11-14)23(6-4-5-7-23)13-18-28-21(32)20(31)19-22(33)29(8-9-30(18)19)16(3)24(25,26)27/h10-12,16,31H,4-9,13H2,1-3H3/t16-/m1/s1
InChIKeyCIZVHXBXQKCQTD-MRXNPFEDSA-N
MW463.50 g/mol
LogP4.03
Rot. Bonds4

About 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

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 (PubChem CID 130430145) has the molecular formula C24H28F3N3O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[[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
PubChem CID130430145
Molecular FormulaC24H28F3N3O3
Molecular Weight463.50 g/mol
Exact Mass463.21
IUPAC Name6-[[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
SMILESCc1cc(C)cc(C2(Cc3nc(=O)c(O)c4n3CCN([C@H](C)C(F)(F)F)C4=O)CCCC2)c1
InChIInChI=1S/C24H28F3N3O3/c1-14-10-15(2)12-17(11-14)23(6-4-5-7-23)13-18-28-21(32)20(31)19-22(33)29(8-9-30(18)19)16(3)24(25,26)27/h10-12,16,31H,4-9,13H2,1-3H3/t16-/m1/s1
InChIKeyCIZVHXBXQKCQTD-MRXNPFEDSA-N
XLogP4.03
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

6-[[1-(4-fluoro-3,5-dimethylphenyl)cyclopentyl]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 130430177
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-(3-ethyl-5-fluorophenyl)cyclopentyl]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 130430143
(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
(3S)-9-hydroxy-3-methyl-6-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 130451803
6-[[1-(2,5-dichlorophenyl)cyclopentyl]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 86725905
13-[[1-(3-bromo-5-methylphenyl)cyclopentyl]methyl]-10-hydroxy-1,7,12-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
CID 130452401
6-[[1-(4-fluoro-3,5-dimethylphenyl)cyclopentyl]methyl]-9-hydroxy-2,3,3-trimethyl-4H-pyrazino[1,2-c]pyrimidine-1,8-dione
CID 129285177
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-[[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-(ethoxymethyl)-5-methylphenyl]cyclopentyl]methyl]-9-hydroxy-2,3-dimethyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 130451897
9-hydroxy-2-(oxetan-3-yl)-6-[(1-phenylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 86725973

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)cc(C2(Cc3nc(=O)c(O)c4n3CCN([C@H](C)C(F)(F)F)C4=O)CCCC2)c1.
What is the InChIKey of 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?
The InChIKey is CIZVHXBXQKCQTD-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H28F3N3O3/c1-14-10-15(2)12-17(11-14)23(6-4-5-7-23)13-18-28-21(32)20(31)19-22(33)29(8-9-30(18)19)16(3)24(25,26)27/h10-12,16,31H,4-9,13H2,1-3H3/t16-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 463.50 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 130430145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).