2-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide

C16H15N3O3 — CID 167945533

IUPAC2-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NC1COc2ccccc21)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H15N3O3/c20-14-7-11(17-15(19-14)9-5-6-9)16(21)18-12-8-22-13-4-2-1-3-10(12)13/h1-4,7,9,12H,5-6,8H2,(H,18,21)(H,17,19,20)
InChIKeyTUOSGCVSTZALML-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.51
Rot. Bonds3

About 2-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide

2-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 167945533) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID167945533
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NC1COc2ccccc21)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H15N3O3/c20-14-7-11(17-15(19-14)9-5-6-9)16(21)18-12-8-22-13-4-2-1-3-10(12)13/h1-4,7,9,12H,5-6,8H2,(H,18,21)(H,17,19,20)
InChIKeyTUOSGCVSTZALML-UHFFFAOYSA-N
XLogP1.51
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154865335
6-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-2-carboxamide
CID 113343314
2-cyclopropyl-N-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154869775
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 94828983
2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 62070746
2-cyclopropyl-N-[1-(3,3-dimethyloxetane-2-carbonyl)azetidin-3-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 155963764
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30602468
2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-6-(methylamino)pyridine-4-carboxamide
CID 63933528
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
2-cyclopropyl-6-oxo-N-[(3-oxocyclobutyl)methyl]-1H-pyrimidine-4-carboxamide
CID 167759812
4-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-2-hydroxybenzamide
CID 62071970
N-(2,3-dihydro-1-benzofuran-3-yl)-4-methyl-1H-benzimidazole-2-carboxamide
CID 171677196

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 167945533) is 2-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide is O=C(NC1COc2ccccc21)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is TUOSGCVSTZALML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-14-7-11(17-15(19-14)9-5-6-9)16(21)18-12-8-22-13-4-2-1-3-10(12)13/h1-4,7,9,12H,5-6,8H2,(H,18,21)(H,17,19,20).
What are the key properties of 2-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
2-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 167945533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).