2-(1-benzofuran-3-yl)pyrimidine

C12H8N2O — CID 118141333

IUPAC2-(1-benzofuran-3-yl)pyrimidine
SMILESc1cnc(-c2coc3ccccc23)nc1
InChIInChI=1S/C12H8N2O/c1-2-5-11-9(4-1)10(8-15-11)12-13-6-3-7-14-12/h1-8H
InChIKeyBFDXKJNRAAWURA-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.89
Rot. Bonds1

About 2-(1-benzofuran-3-yl)pyrimidine

2-(1-benzofuran-3-yl)pyrimidine (PubChem CID 118141333) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(1-benzofuran-3-yl)pyrimidine.

Molecular Properties

Compound Name2-(1-benzofuran-3-yl)pyrimidine
PubChem CID118141333
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name2-(1-benzofuran-3-yl)pyrimidine
SMILESc1cnc(-c2coc3ccccc23)nc1
InChIInChI=1S/C12H8N2O/c1-2-5-11-9(4-1)10(8-15-11)12-13-6-3-7-14-12/h1-8H
InChIKeyBFDXKJNRAAWURA-UHFFFAOYSA-N
XLogP2.89
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-Benzofuran-5-yl)pyridin-2-amine
CID 155920136
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-pyrimidin-2-yl-amine
CID 11573592
[(1R)-2-(1-benzofuran-3-yl)-1-[(2-pyrimidin-2-ylacetyl)amino]ethyl]boronic acid
CID 140861690
4-[[4-[4-(1-Benzofuran-3-yl)-2,6-difluoroanilino]pyrimidin-2-yl]amino]benzonitrile
CID 162510849
2-[2-(1-benzofuran-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
CID 162661275
6-Phenyl-4-(1-pyrrolyl)furo[2,3-d]pyrimidine
CID 653558
5-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3232775
2-(furan-3-yl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 3234233
2-(4-Dibenzofuran-4-ylmethyl-piperazin-1-yl)-pyrimidine
CID 44304600
N-benzyl-2-(furan-3-yl)pyrimidin-4-amine
CID 3233094
N-(furan-2-ylmethyl)-5-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 3234511
2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3234792

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-yl)pyrimidine?
The IUPAC name of 2-(1-benzofuran-3-yl)pyrimidine (CID 118141333) is 2-(1-benzofuran-3-yl)pyrimidine.
What is the SMILES notation for 2-(1-benzofuran-3-yl)pyrimidine?
The canonical SMILES for 2-(1-benzofuran-3-yl)pyrimidine is c1cnc(-c2coc3ccccc23)nc1.
What is the InChIKey of 2-(1-benzofuran-3-yl)pyrimidine?
The InChIKey is BFDXKJNRAAWURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c1-2-5-11-9(4-1)10(8-15-11)12-13-6-3-7-14-12/h1-8H.
What are the key properties of 2-(1-benzofuran-3-yl)pyrimidine?
2-(1-benzofuran-3-yl)pyrimidine has a molecular weight of 196.21 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-yl)pyrimidine is sourced from PubChem (CID 118141333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).