6-[[1-(2,5-dichlorophenyl)cyclopentyl]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

C22H25Cl2N3O3 — CID 86725905

IUPAC6-[[1-(2,5-dichlorophenyl)cyclopentyl]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESCC(C)N1CCn2c(CC3(c4cc(Cl)ccc4Cl)CCCC3)nc(=O)c(O)c2C1=O
InChIInChI=1S/C22H25Cl2N3O3/c1-13(2)26-9-10-27-17(25-20(29)19(28)18(27)21(26)30)12-22(7-3-4-8-22)15-11-14(23)5-6-16(15)24/h5-6,11,13,28H,3-4,7-10,12H2,1-2H3
InChIKeyOAXDWTZRAMNBIA-UHFFFAOYSA-N
MW450.37 g/mol
LogP4.17
Rot. Bonds4

About 6-[[1-(2,5-dichlorophenyl)cyclopentyl]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

6-[[1-(2,5-dichlorophenyl)cyclopentyl]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (PubChem CID 86725905) has the molecular formula C22H25Cl2N3O3 and a molecular weight of 450.37 g/mol. Its IUPAC name is 6-[[1-(2,5-dichlorophenyl)cyclopentyl]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.

Molecular Properties

Compound Name6-[[1-(2,5-dichlorophenyl)cyclopentyl]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
PubChem CID86725905
Molecular FormulaC22H25Cl2N3O3
Molecular Weight450.37 g/mol
Exact Mass449.13
IUPAC Name6-[[1-(2,5-dichlorophenyl)cyclopentyl]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESCC(C)N1CCn2c(CC3(c4cc(Cl)ccc4Cl)CCCC3)nc(=O)c(O)c2C1=O
InChIInChI=1S/C22H25Cl2N3O3/c1-13(2)26-9-10-27-17(25-20(29)19(28)18(27)21(26)30)12-22(7-3-4-8-22)15-11-14(23)5-6-16(15)24/h5-6,11,13,28H,3-4,7-10,12H2,1-2H3
InChIKeyOAXDWTZRAMNBIA-UHFFFAOYSA-N
XLogP4.17
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-ethyl-5-fluorophenyl)cyclopentyl]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 130430143
9-butoxy-6-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 90275047
9-butoxy-6-[(4-chloro-2-methylphenyl)methyl]-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 90290080
9-hydroxy-2-(oxetan-3-yl)-6-[(1-phenylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 86725973
9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-6-carbonitrile;propane
CID 145301935
(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
(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
5-butoxy-2-[[1-(2,5-dichlorophenyl)cyclopentyl]methyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 136509357
2-[(3-chlorophenyl)-fluoromethyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 68832248
N-cyclohexyl-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-methylbutanamide
CID 118631851
9-ethenyl-1-ethenylidene-2-methyl-6-[[1-(3-methylphenyl)cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen
CID 145369633

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2,5-dichlorophenyl)cyclopentyl]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The IUPAC name of 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) is 6-[[1-(2,5-dichlorophenyl)cyclopentyl]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.
What is the SMILES notation for 6-[[1-(2,5-dichlorophenyl)cyclopentyl]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The canonical SMILES for 6-[[1-(2,5-dichlorophenyl)cyclopentyl]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is CC(C)N1CCn2c(CC3(c4cc(Cl)ccc4Cl)CCCC3)nc(=O)c(O)c2C1=O.
What is the InChIKey of 6-[[1-(2,5-dichlorophenyl)cyclopentyl]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The InChIKey is OAXDWTZRAMNBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O3/c1-13(2)26-9-10-27-17(25-20(29)19(28)18(27)21(26)30)12-22(7-3-4-8-22)15-11-14(23)5-6-16(15)24/h5-6,11,13,28H,3-4,7-10,12H2,1-2H3.
What are the key properties of 6-[[1-(2,5-dichlorophenyl)cyclopentyl]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
6-[[1-(2,5-dichlorophenyl)cyclopentyl]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione has a molecular weight of 450.37 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2,5-dichlorophenyl)cyclopentyl]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is sourced from PubChem (CID 86725905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).