9-hydroxy-2-methyl-6-[1-[1-(3-methylphenyl)cyclopentyl]ethyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

C22H27N3O3 — CID 130430148

IUPAC9-hydroxy-2-methyl-6-[1-[1-(3-methylphenyl)cyclopentyl]ethyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESCc1cccc(C2(C(C)c3nc(=O)c(O)c4n3CCN(C)C4=O)CCCC2)c1
InChIInChI=1S/C22H27N3O3/c1-14-7-6-8-16(13-14)22(9-4-5-10-22)15(2)19-23-20(27)18(26)17-21(28)24(3)11-12-25(17)19/h6-8,13,15,26H,4-5,9-12H2,1-3H3
InChIKeyZCBFDTIHITZECV-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.96
Rot. Bonds3

About 9-hydroxy-2-methyl-6-[1-[1-(3-methylphenyl)cyclopentyl]ethyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

9-hydroxy-2-methyl-6-[1-[1-(3-methylphenyl)cyclopentyl]ethyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (PubChem CID 130430148) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 9-hydroxy-2-methyl-6-[1-[1-(3-methylphenyl)cyclopentyl]ethyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.

Molecular Properties

Compound Name9-hydroxy-2-methyl-6-[1-[1-(3-methylphenyl)cyclopentyl]ethyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
PubChem CID130430148
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name9-hydroxy-2-methyl-6-[1-[1-(3-methylphenyl)cyclopentyl]ethyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESCc1cccc(C2(C(C)c3nc(=O)c(O)c4n3CCN(C)C4=O)CCCC2)c1
InChIInChI=1S/C22H27N3O3/c1-14-7-6-8-16(13-14)22(9-4-5-10-22)15(2)19-23-20(27)18(26)17-21(28)24(3)11-12-25(17)19/h6-8,13,15,26H,4-5,9-12H2,1-3H3
InChIKeyZCBFDTIHITZECV-UHFFFAOYSA-N
XLogP2.96
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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-(3,4-diethylphenyl)cyclohexyl]methyl]-9-hydroxy-2-methyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 130452103
(3S)-6-[chloro-[1-(3,5-dimethylphenyl)cyclopentyl]methyl]-9-hydroxy-2,3-dimethyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 130430220
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
[[1-(3,5-dimethylphenyl)cyclopentyl]-[(3S)-9-hydroxy-2,3-dimethyl-1,8-dioxo-3,4-dihydropyrazino[1,2-c]pyrimidin-6-yl]methyl] acetate
CID 130430341
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
(3S)-6-[[1-(3,5-dimethylphenyl)cyclopentyl]-hydroxymethyl]-1,9-dihydroxy-2,3-dimethyl-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one
CID 130452463
1-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 95276095
(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
9-hydroxy-2-(oxetan-3-yl)-6-[(1-phenylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 86725973
1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene
CID 19798314

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-methyl-6-[1-[1-(3-methylphenyl)cyclopentyl]ethyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The IUPAC name of 9-hydroxy-2-methyl-6-[1-[1-(3-methylphenyl)cyclopentyl]ethyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (CID 130430148) is 9-hydroxy-2-methyl-6-[1-[1-(3-methylphenyl)cyclopentyl]ethyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.
What is the SMILES notation for 9-hydroxy-2-methyl-6-[1-[1-(3-methylphenyl)cyclopentyl]ethyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The canonical SMILES for 9-hydroxy-2-methyl-6-[1-[1-(3-methylphenyl)cyclopentyl]ethyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is Cc1cccc(C2(C(C)c3nc(=O)c(O)c4n3CCN(C)C4=O)CCCC2)c1.
What is the InChIKey of 9-hydroxy-2-methyl-6-[1-[1-(3-methylphenyl)cyclopentyl]ethyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The InChIKey is ZCBFDTIHITZECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-14-7-6-8-16(13-14)22(9-4-5-10-22)15(2)19-23-20(27)18(26)17-21(28)24(3)11-12-25(17)19/h6-8,13,15,26H,4-5,9-12H2,1-3H3.
What are the key properties of 9-hydroxy-2-methyl-6-[1-[1-(3-methylphenyl)cyclopentyl]ethyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
9-hydroxy-2-methyl-6-[1-[1-(3-methylphenyl)cyclopentyl]ethyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione has a molecular weight of 381.48 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-methyl-6-[1-[1-(3-methylphenyl)cyclopentyl]ethyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is sourced from PubChem (CID 130430148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).