6-[2-(1-benzofuran-3-yl)ethylamino]pyrimidine-4-carbonitrile

C15H12N4O — CID 115143084

IUPAC6-[2-(1-benzofuran-3-yl)ethylamino]pyrimidine-4-carbonitrile
SMILESN#Cc1cc(NCCc2coc3ccccc23)ncn1
InChIInChI=1S/C15H12N4O/c16-8-12-7-15(19-10-18-12)17-6-5-11-9-20-14-4-2-1-3-13(11)14/h1-4,7,9-10H,5-6H2,(H,17,18,19)
InChIKeyQSXTVGCDBFHXLW-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.75
Rot. Bonds4

About 6-[2-(1-benzofuran-3-yl)ethylamino]pyrimidine-4-carbonitrile

6-[2-(1-benzofuran-3-yl)ethylamino]pyrimidine-4-carbonitrile (PubChem CID 115143084) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 6-[2-(1-benzofuran-3-yl)ethylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[2-(1-benzofuran-3-yl)ethylamino]pyrimidine-4-carbonitrile
PubChem CID115143084
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name6-[2-(1-benzofuran-3-yl)ethylamino]pyrimidine-4-carbonitrile
SMILESN#Cc1cc(NCCc2coc3ccccc23)ncn1
InChIInChI=1S/C15H12N4O/c16-8-12-7-15(19-10-18-12)17-6-5-11-9-20-14-4-2-1-3-13(11)14/h1-4,7,9-10H,5-6H2,(H,17,18,19)
InChIKeyQSXTVGCDBFHXLW-UHFFFAOYSA-N
XLogP2.75
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1-benzofuran-3-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 115265694
6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile
CID 115143046
6-(2-fluoroethylamino)pyrimidine-4-carbonitrile
CID 130478010
6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile
CID 115143037
3-[(6-cyanopyrimidin-4-yl)amino]propanamide
CID 126973504
2-[[2-(1-benzofuran-3-yl)ethylamino]methyl]butanenitrile
CID 115254079
6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile
CID 130551187
4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile
CID 115143093
N-[2-(1-benzofuran-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206607
6-N-[2-(2-fluorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858566
6-(methylamino)pyrimidine-4-carbonitrile
CID 22498876

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-benzofuran-3-yl)ethylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-[2-(1-benzofuran-3-yl)ethylamino]pyrimidine-4-carbonitrile (CID 115143084) is 6-[2-(1-benzofuran-3-yl)ethylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[2-(1-benzofuran-3-yl)ethylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-[2-(1-benzofuran-3-yl)ethylamino]pyrimidine-4-carbonitrile is N#Cc1cc(NCCc2coc3ccccc23)ncn1.
What is the InChIKey of 6-[2-(1-benzofuran-3-yl)ethylamino]pyrimidine-4-carbonitrile?
The InChIKey is QSXTVGCDBFHXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c16-8-12-7-15(19-10-18-12)17-6-5-11-9-20-14-4-2-1-3-13(11)14/h1-4,7,9-10H,5-6H2,(H,17,18,19).
What are the key properties of 6-[2-(1-benzofuran-3-yl)ethylamino]pyrimidine-4-carbonitrile?
6-[2-(1-benzofuran-3-yl)ethylamino]pyrimidine-4-carbonitrile has a molecular weight of 264.29 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-benzofuran-3-yl)ethylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 115143084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).