9-ethenyl-1-ethenylidene-2-methyl-6-[[1-(3-methylphenyl)cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen

C25H31N3O — CID 145369633

IUPAC9-ethenyl-1-ethenylidene-2-methyl-6-[[1-(3-methylphenyl)cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen
SMILESC=C=C1c2c(C=C)c(=O)nc(CC3(c4cccc(C)c4)CCCC3)n2CCN1C.[H][H]
InChIInChI=1S/C25H29N3O.H2/c1-5-20-23-21(6-2)27(4)14-15-28(23)22(26-24(20)29)17-25(12-7-8-13-25)19-11-9-10-18(3)16-19;/h5,9-11,16H,1-2,7-8,12-15,17H2,3-4H3;1H
InChIKeyWXKBYXNKFMVVHQ-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.57
Rot. Bonds4

About 9-ethenyl-1-ethenylidene-2-methyl-6-[[1-(3-methylphenyl)cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen

9-ethenyl-1-ethenylidene-2-methyl-6-[[1-(3-methylphenyl)cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen (PubChem CID 145369633) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is 9-ethenyl-1-ethenylidene-2-methyl-6-[[1-(3-methylphenyl)cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen.

Molecular Properties

Compound Name9-ethenyl-1-ethenylidene-2-methyl-6-[[1-(3-methylphenyl)cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen
PubChem CID145369633
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Name9-ethenyl-1-ethenylidene-2-methyl-6-[[1-(3-methylphenyl)cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen
SMILESC=C=C1c2c(C=C)c(=O)nc(CC3(c4cccc(C)c4)CCCC3)n2CCN1C.[H][H]
InChIInChI=1S/C25H29N3O.H2/c1-5-20-23-21(6-2)27(4)14-15-28(23)22(26-24(20)29)17-25(12-7-8-13-25)19-11-9-10-18(3)16-19;/h5,9-11,16H,1-2,7-8,12-15,17H2,3-4H3;1H
InChIKeyWXKBYXNKFMVVHQ-UHFFFAOYSA-N
XLogP4.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[1-(2,3-dihydro-1H-inden-5-yl)cyclopentyl]methyl]-9-ethenyl-1-ethenylidene-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen
CID 145369613
6-[[1-(3,4-diethylphenyl)cyclohexyl]methyl]-9-hydroxy-2-methyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 130452103
(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-(3,5-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
9-hydroxy-2-methyl-6-[1-[1-(3-methylphenyl)cyclopentyl]ethyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 130430148
(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-butoxy-6-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 90275047
(3S)-6-[[1-(3-ethylphenyl)cyclopentyl]methyl]-2-methyl-9-nitroso-3-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 130452011
6-[[1-(4-cyclopropylphenyl)cyclopentyl]methyl]-1-ethynyl-2,9-dimethyl-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one
CID 145369643
9-hydroxy-2-(oxetan-3-yl)-6-[(1-phenylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 86725973
1-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970860

Frequently Asked Questions

What is the IUPAC name of 9-ethenyl-1-ethenylidene-2-methyl-6-[[1-(3-methylphenyl)cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen?
The IUPAC name of 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) is 9-ethenyl-1-ethenylidene-2-methyl-6-[[1-(3-methylphenyl)cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen.
What is the SMILES notation for 9-ethenyl-1-ethenylidene-2-methyl-6-[[1-(3-methylphenyl)cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen?
The canonical SMILES for 9-ethenyl-1-ethenylidene-2-methyl-6-[[1-(3-methylphenyl)cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen is C=C=C1c2c(C=C)c(=O)nc(CC3(c4cccc(C)c4)CCCC3)n2CCN1C.[H][H].
What is the InChIKey of 9-ethenyl-1-ethenylidene-2-methyl-6-[[1-(3-methylphenyl)cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen?
The InChIKey is WXKBYXNKFMVVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O.H2/c1-5-20-23-21(6-2)27(4)14-15-28(23)22(26-24(20)29)17-25(12-7-8-13-25)19-11-9-10-18(3)16-19;/h5,9-11,16H,1-2,7-8,12-15,17H2,3-4H3;1H.
What are the key properties of 9-ethenyl-1-ethenylidene-2-methyl-6-[[1-(3-methylphenyl)cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen?
9-ethenyl-1-ethenylidene-2-methyl-6-[[1-(3-methylphenyl)cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen has a molecular weight of 389.54 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethenyl-1-ethenylidene-2-methyl-6-[[1-(3-methylphenyl)cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen is sourced from PubChem (CID 145369633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).