6-[[1-(4-cyclopropylphenyl)cyclopentyl]methyl]-1-ethynyl-2,9-dimethyl-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one

C26H31N3O — CID 145369643

IUPAC6-[[1-(4-cyclopropylphenyl)cyclopentyl]methyl]-1-ethynyl-2,9-dimethyl-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one
SMILESC#CC1c2c(C)c(=O)nc(CC3(c4ccc(C5CC5)cc4)CCCC3)n2CCN1C
InChIInChI=1S/C26H31N3O/c1-4-22-24-18(2)25(30)27-23(29(24)16-15-28(22)3)17-26(13-5-6-14-26)21-11-9-20(10-12-21)19-7-8-19/h1,9-12,19,22H,5-8,13-17H2,2-3H3
InChIKeyJZRLHNFFMLFGHA-UHFFFAOYSA-N
MW401.55 g/mol
LogP4.10
Rot. Bonds4

About 6-[[1-(4-cyclopropylphenyl)cyclopentyl]methyl]-1-ethynyl-2,9-dimethyl-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one

6-[[1-(4-cyclopropylphenyl)cyclopentyl]methyl]-1-ethynyl-2,9-dimethyl-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one (PubChem CID 145369643) has the molecular formula C26H31N3O and a molecular weight of 401.55 g/mol. Its IUPAC name is 6-[[1-(4-cyclopropylphenyl)cyclopentyl]methyl]-1-ethynyl-2,9-dimethyl-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one.

Molecular Properties

Compound Name6-[[1-(4-cyclopropylphenyl)cyclopentyl]methyl]-1-ethynyl-2,9-dimethyl-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one
PubChem CID145369643
Molecular FormulaC26H31N3O
Molecular Weight401.55 g/mol
Exact Mass401.25
IUPAC Name6-[[1-(4-cyclopropylphenyl)cyclopentyl]methyl]-1-ethynyl-2,9-dimethyl-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one
SMILESC#CC1c2c(C)c(=O)nc(CC3(c4ccc(C5CC5)cc4)CCCC3)n2CCN1C
InChIInChI=1S/C26H31N3O/c1-4-22-24-18(2)25(30)27-23(29(24)16-15-28(22)3)17-26(13-5-6-14-26)21-11-9-20(10-12-21)19-7-8-19/h1,9-12,19,22H,5-8,13-17H2,2-3H3
InChIKeyJZRLHNFFMLFGHA-UHFFFAOYSA-N
XLogP4.10
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-[[1-(4-cyclopropylphenyl)cyclopentyl]methyl]-1-ethynyl-2,9-dimethyl-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[1-(3,4-diethylphenyl)cyclohexyl]methyl]-9-hydroxy-2-methyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 130452103
2-cyclopropyl-6-[(1-phenylcyclopentyl)methyl]-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 86725957
(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-(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
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
1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117463978
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
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-ethyl-5-fluorophenyl)cyclopentyl]methyl]-9-hydroxy-2,3-dimethyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 130452158
(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
[1-(4-cyclobutylphenyl)cyclopropyl]methanamine
CID 117290330

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(4-cyclopropylphenyl)cyclopentyl]methyl]-1-ethynyl-2,9-dimethyl-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one?
The IUPAC name of 6-[[1-(4-cyclopropylphenyl)cyclopentyl]methyl]-1-ethynyl-2,9-dimethyl-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one (CID 145369643) is 6-[[1-(4-cyclopropylphenyl)cyclopentyl]methyl]-1-ethynyl-2,9-dimethyl-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one.
What is the SMILES notation for 6-[[1-(4-cyclopropylphenyl)cyclopentyl]methyl]-1-ethynyl-2,9-dimethyl-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one?
The canonical SMILES for 6-[[1-(4-cyclopropylphenyl)cyclopentyl]methyl]-1-ethynyl-2,9-dimethyl-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one is C#CC1c2c(C)c(=O)nc(CC3(c4ccc(C5CC5)cc4)CCCC3)n2CCN1C.
What is the InChIKey of 6-[[1-(4-cyclopropylphenyl)cyclopentyl]methyl]-1-ethynyl-2,9-dimethyl-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one?
The InChIKey is JZRLHNFFMLFGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O/c1-4-22-24-18(2)25(30)27-23(29(24)16-15-28(22)3)17-26(13-5-6-14-26)21-11-9-20(10-12-21)19-7-8-19/h1,9-12,19,22H,5-8,13-17H2,2-3H3.
What are the key properties of 6-[[1-(4-cyclopropylphenyl)cyclopentyl]methyl]-1-ethynyl-2,9-dimethyl-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one?
6-[[1-(4-cyclopropylphenyl)cyclopentyl]methyl]-1-ethynyl-2,9-dimethyl-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one has a molecular weight of 401.55 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(4-cyclopropylphenyl)cyclopentyl]methyl]-1-ethynyl-2,9-dimethyl-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one is sourced from PubChem (CID 145369643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).