2-(1-benzofuran-2-yl)-1,4,5,6-tetrahydropyrimidine

C12H12N2O — CID 3055560

IUPAC2-(1-benzofuran-2-yl)-1,4,5,6-tetrahydropyrimidine
SMILESc1ccc2oc(C3=NCCCN3)cc2c1
InChIInChI=1S/C12H12N2O/c1-2-5-10-9(4-1)8-11(15-10)12-13-6-3-7-14-12/h1-2,4-5,8H,3,6-7H2,(H,13,14)
InChIKeyMYEVXBIYMPENHA-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.17
Rot. Bonds1

About 2-(1-benzofuran-2-yl)-1,4,5,6-tetrahydropyrimidine

2-(1-benzofuran-2-yl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 3055560) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-1,4,5,6-tetrahydropyrimidine
PubChem CID3055560
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-(1-benzofuran-2-yl)-1,4,5,6-tetrahydropyrimidine
SMILESc1ccc2oc(C3=NCCCN3)cc2c1
InChIInChI=1S/C12H12N2O/c1-2-5-10-9(4-1)8-11(15-10)12-13-6-3-7-14-12/h1-2,4-5,8H,3,6-7H2,(H,13,14)
InChIKeyMYEVXBIYMPENHA-UHFFFAOYSA-N
XLogP2.17
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-(1-benzofuran-2-yl)-1,4,5,6-tetrahydropyrimidine (CID 3055560) is 2-(1-benzofuran-2-yl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-(1-benzofuran-2-yl)-1,4,5,6-tetrahydropyrimidine is c1ccc2oc(C3=NCCCN3)cc2c1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is MYEVXBIYMPENHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-5-10-9(4-1)8-11(15-10)12-13-6-3-7-14-12/h1-2,4-5,8H,3,6-7H2,(H,13,14).
What are the key properties of 2-(1-benzofuran-2-yl)-1,4,5,6-tetrahydropyrimidine?
2-(1-benzofuran-2-yl)-1,4,5,6-tetrahydropyrimidine has a molecular weight of 200.24 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 3055560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).