2-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile

C9H5N3O2 — CID 82281081

IUPAC2-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C9H5N3O2/c10-4-6-5-11-8(12-9(6)13)7-2-1-3-14-7/h1-3,5H,(H,11,12,13)
InChIKeyZDWNWJAGFGGLFB-UHFFFAOYSA-N
MW187.16 g/mol
LogP0.90
Rot. Bonds1

About 2-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile

2-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile (PubChem CID 82281081) has the molecular formula C9H5N3O2 and a molecular weight of 187.16 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
PubChem CID82281081
Molecular FormulaC9H5N3O2
Molecular Weight187.16 g/mol
Exact Mass187.04
IUPAC Name2-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C9H5N3O2/c10-4-6-5-11-8(12-9(6)13)7-2-1-3-14-7/h1-3,5H,(H,11,12,13)
InChIKeyZDWNWJAGFGGLFB-UHFFFAOYSA-N
XLogP0.90
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 82307079
2-(4-tert-butylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 82298468
2-(3-ethyl-2-pyridinyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 113385081
6-oxo-2-(trichloromethyl)-1H-pyrimidine-5-carbonitrile
CID 165467152
2-(4-butylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 21388807
4-(furan-2-yl)-2-phenylpyrimidine-5-carbonitrile
CID 24901796
2-(furan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941277
2-[[2-(furan-2-yl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl]methyl]benzonitrile
CID 135864355
2-(furan-2-yl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975234
2-(furan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135905333
3,4-bis(furan-2-yl)-6-oxo-1H-pyridazine-5-carbonitrile
CID 10106289
2-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 107923253

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 2-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile (CID 82281081) is 2-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile is N#Cc1cnc(-c2ccco2)[nH]c1=O.
What is the InChIKey of 2-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is ZDWNWJAGFGGLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O2/c10-4-6-5-11-8(12-9(6)13)7-2-1-3-14-7/h1-3,5H,(H,11,12,13).
What are the key properties of 2-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile?
2-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 187.16 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 82281081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).