4-amino-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile

C13H10N4O — CID 116865157

IUPAC4-amino-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2ccc3c(c2)CCO3)nc1N
InChIInChI=1S/C13H10N4O/c14-6-10-7-16-13(17-12(10)15)9-1-2-11-8(5-9)3-4-18-11/h1-2,5,7H,3-4H2,(H2,15,16,17)
InChIKeyCJAYKDKCQVIAJQ-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.53
Rot. Bonds1

About 4-amino-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile

4-amino-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile (PubChem CID 116865157) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-amino-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile
PubChem CID116865157
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name4-amino-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2ccc3c(c2)CCO3)nc1N
InChIInChI=1S/C13H10N4O/c14-6-10-7-16-13(17-12(10)15)9-1-2-11-8(5-9)3-4-18-11/h1-2,5,7H,3-4H2,(H2,15,16,17)
InChIKeyCJAYKDKCQVIAJQ-UHFFFAOYSA-N
XLogP1.53
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile
CID 116865195
2-(2,3-dihydro-1-benzofuran-5-yl)-5-hydroxypyridine-4-carbonitrile
CID 116864630
2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-iodopyrimidin-4-amine
CID 66295990
4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine
CID 83241683
2-(2,3-dihydro-1-benzofuran-5-yl)-7-methylpurine
CID 157018415
4-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrimidine-5-carbonitrile
CID 116865152
4-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carbonitrile
CID 116859092
5-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1H-pyrazol-3-amine
CID 62198669
2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carbonitrile
CID 116886209
5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine
CID 66199605
[2-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidin-4-yl]hydrazine
CID 62250356
2-amino-4-(2,3-dihydro-1-benzofuran-5-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 23540297

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile (CID 116865157) is 4-amino-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile is N#Cc1cnc(-c2ccc3c(c2)CCO3)nc1N.
What is the InChIKey of 4-amino-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile?
The InChIKey is CJAYKDKCQVIAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-6-10-7-16-13(17-12(10)15)9-1-2-11-8(5-9)3-4-18-11/h1-2,5,7H,3-4H2,(H2,15,16,17).
What are the key properties of 4-amino-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile?
4-amino-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile has a molecular weight of 238.25 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 116865157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).