2-acetamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

C10H12N4O3 — CID 142147356

IUPAC2-acetamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
SMILESCC(=O)Nc1cc(=O)n2c(n1)CCC2C(N)=O
InChIInChI=1S/C10H12N4O3/c1-5(15)12-7-4-9(16)14-6(10(11)17)2-3-8(14)13-7/h4,6H,2-3H2,1H3,(H2,11,17)(H,12,15)
InChIKeyPASRBRXZQGWOLU-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.83
Rot. Bonds2

About 2-acetamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

2-acetamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 142147356) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-acetamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-acetamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
PubChem CID142147356
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name2-acetamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
SMILESCC(=O)Nc1cc(=O)n2c(n1)CCC2C(N)=O
InChIInChI=1S/C10H12N4O3/c1-5(15)12-7-4-9(16)14-6(10(11)17)2-3-8(14)13-7/h4,6H,2-3H2,1H3,(H2,11,17)(H,12,15)
InChIKeyPASRBRXZQGWOLU-UHFFFAOYSA-N
XLogP-0.83
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 140657439
(6S)-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 171655027
1-acetyl-N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-L-prolinamide
CID 136662249
2-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136864276
4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136864283
2-methyl-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956538
2-methyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956820
2-methyl-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136957105
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 136957434
1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 136957436
2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 136958052
2-ethyl-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136975250

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-acetamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (CID 142147356) is 2-acetamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-acetamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-acetamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is CC(=O)Nc1cc(=O)n2c(n1)CCC2C(N)=O.
What is the InChIKey of 2-acetamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is PASRBRXZQGWOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-5(15)12-7-4-9(16)14-6(10(11)17)2-3-8(14)13-7/h4,6H,2-3H2,1H3,(H2,11,17)(H,12,15).
What are the key properties of 2-acetamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?
2-acetamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 236.23 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 142147356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).