2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide

C17H22N4O3 — CID 9355126

IUPAC2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)Cn1c(=O)c(C#N)c2n(c1=O)CCC2
InChIInChI=1S/C17H22N4O3/c1-11-5-2-3-6-13(11)19-15(22)10-21-16(23)12(9-18)14-7-4-8-20(14)17(21)24/h11,13H,2-8,10H2,1H3,(H,19,22)/t11-,13+/m1/s1
InChIKeyGFWNIFMCDQVSLM-YPMHNXCESA-N
MW330.39 g/mol
LogP0.52
Rot. Bonds3

About 2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide

2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide (PubChem CID 9355126) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
PubChem CID9355126
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)Cn1c(=O)c(C#N)c2n(c1=O)CCC2
InChIInChI=1S/C17H22N4O3/c1-11-5-2-3-6-13(11)19-15(22)10-21-16(23)12(9-18)14-7-4-8-20(14)17(21)24/h11,13H,2-8,10H2,1H3,(H,19,22)/t11-,13+/m1/s1
InChIKeyGFWNIFMCDQVSLM-YPMHNXCESA-N
XLogP0.52
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide with MolForge

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Related Compounds

2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 38962277
2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-(3-methylbutylcarbamoyl)acetamide
CID 8982085
N-(4-bromo-2-methylphenyl)-2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)acetamide
CID 8982165
2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 8955231
N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756880
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(2-methylcyclohexyl)acetamide
CID 108794994
2-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile
CID 8981738
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 9355235
2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9355302
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9131221
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439119
2-[4-(4-hydroxyphenyl)piperidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 94595136

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide (CID 9355126) is 2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide is C[C@@H]1CCCC[C@@H]1NC(=O)Cn1c(=O)c(C#N)c2n(c1=O)CCC2.
What is the InChIKey of 2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is GFWNIFMCDQVSLM-YPMHNXCESA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-5-2-3-6-13(11)19-15(22)10-21-16(23)12(9-18)14-7-4-8-20(14)17(21)24/h11,13H,2-8,10H2,1H3,(H,19,22)/t11-,13+/m1/s1.
What are the key properties of 2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 330.39 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 9355126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).