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

C19H20N4O3 — CID 8982383

IUPAC2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C)C(=O)Cn1c(=O)c(C#N)c2n(c1=O)CCC2
InChIInChI=1S/C19H20N4O3/c1-13-6-3-4-7-14(13)11-21(2)17(24)12-23-18(25)15(10-20)16-8-5-9-22(16)19(23)26/h3-4,6-7H,5,8-9,11-12H2,1-2H3
InChIKeyRANRAEBTOMJUOM-UHFFFAOYSA-N
MW352.39 g/mol
LogP0.79
Rot. Bonds4

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

2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 8982383) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
PubChem CID8982383
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C)C(=O)Cn1c(=O)c(C#N)c2n(c1=O)CCC2
InChIInChI=1S/C19H20N4O3/c1-13-6-3-4-7-14(13)11-21(2)17(24)12-23-18(25)15(10-20)16-8-5-9-22(16)19(23)26/h3-4,6-7H,5,8-9,11-12H2,1-2H3
InChIKeyRANRAEBTOMJUOM-UHFFFAOYSA-N
XLogP0.79
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-methyl-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide (CID 8982383) is 2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]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-methyl-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CN(C)C(=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-methyl-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is RANRAEBTOMJUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13-6-3-4-7-14(13)11-21(2)17(24)12-23-18(25)15(10-20)16-8-5-9-22(16)19(23)26/h3-4,6-7H,5,8-9,11-12H2,1-2H3.
What are the key properties of 2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 352.39 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 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-methyl-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 8982383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).