5-(1-benzofuran-2-yl)pyrimidine

C12H8N2O — CID 10631732

IUPAC5-(1-benzofuran-2-yl)pyrimidine
SMILESc1ccc2oc(-c3cncnc3)cc2c1
InChIInChI=1S/C12H8N2O/c1-2-4-11-9(3-1)5-12(15-11)10-6-13-8-14-7-10/h1-8H
InChIKeySPOGDIQPCUJUJN-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.89
Rot. Bonds1

About 5-(1-benzofuran-2-yl)pyrimidine

5-(1-benzofuran-2-yl)pyrimidine (PubChem CID 10631732) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)pyrimidine.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)pyrimidine
PubChem CID10631732
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name5-(1-benzofuran-2-yl)pyrimidine
SMILESc1ccc2oc(-c3cncnc3)cc2c1
InChIInChI=1S/C12H8N2O/c1-2-4-11-9(3-1)5-12(15-11)10-6-13-8-14-7-10/h1-8H
InChIKeySPOGDIQPCUJUJN-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

5,6-Diphenylfuro[2,3-d]pyrimidin-4-amine
CID 290208
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-pyrimidin-2-yl-amine
CID 11573592
(5-Ethyl-pyrimidin-2-yl)-{2-[2-((R)-2-methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-amine
CID 11603022
2-(Dibenzo[b,d]furan-2-yloxy)pyrimidine
CID 2564678
4-(2-Methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine
CID 3825639
6-Phenyl-4-(1-pyrrolyl)furo[2,3-d]pyrimidine
CID 653558
(5-Bromo-pyrimidin-2-yl)-{2-[2-((R)-2-methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-amine
CID 11546137
2-(4-Dibenzofuran-4-ylmethyl-piperazin-1-yl)-pyrimidine
CID 44304600
N-benzyl-6-phenylfuro[2,3-d]pyrimidin-4-amine
CID 134156542
6-Phenylfuro[2,3-d]pyrimidin-4-amine
CID 696524
5-(5-Pyrimidinyl)-2-furancarboxaldehyde
CID 23004866
4-Phenoxy-6-phenylfuro[2,3-d]pyrimidine
CID 4639010

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)pyrimidine?
The IUPAC name of 5-(1-benzofuran-2-yl)pyrimidine (CID 10631732) is 5-(1-benzofuran-2-yl)pyrimidine.
What is the SMILES notation for 5-(1-benzofuran-2-yl)pyrimidine?
The canonical SMILES for 5-(1-benzofuran-2-yl)pyrimidine is c1ccc2oc(-c3cncnc3)cc2c1.
What is the InChIKey of 5-(1-benzofuran-2-yl)pyrimidine?
The InChIKey is SPOGDIQPCUJUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c1-2-4-11-9(3-1)5-12(15-11)10-6-13-8-14-7-10/h1-8H.
What are the key properties of 5-(1-benzofuran-2-yl)pyrimidine?
5-(1-benzofuran-2-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 5-(1-benzofuran-2-yl)pyrimidine is sourced from PubChem (CID 10631732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).