4-(7-chloro-1-benzofuran-2-yl)-N-ethylpyrimidin-2-amine

C14H12ClN3O — CID 114735069

IUPAC4-(7-chloro-1-benzofuran-2-yl)-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(-c2cc3cccc(Cl)c3o2)n1
InChIInChI=1S/C14H12ClN3O/c1-2-16-14-17-7-6-11(18-14)12-8-9-4-3-5-10(15)13(9)19-12/h3-8H,2H2,1H3,(H,16,17,18)
InChIKeyOZNKHIXACJAQRS-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.97
Rot. Bonds3

About 4-(7-chloro-1-benzofuran-2-yl)-N-ethylpyrimidin-2-amine

4-(7-chloro-1-benzofuran-2-yl)-N-ethylpyrimidin-2-amine (PubChem CID 114735069) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 4-(7-chloro-1-benzofuran-2-yl)-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(7-chloro-1-benzofuran-2-yl)-N-ethylpyrimidin-2-amine
PubChem CID114735069
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name4-(7-chloro-1-benzofuran-2-yl)-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(-c2cc3cccc(Cl)c3o2)n1
InChIInChI=1S/C14H12ClN3O/c1-2-16-14-17-7-6-11(18-14)12-8-9-4-3-5-10(15)13(9)19-12/h3-8H,2H2,1H3,(H,16,17,18)
InChIKeyOZNKHIXACJAQRS-UHFFFAOYSA-N
XLogP3.97
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(7-methyl-1-benzofuran-2-yl)-N-propylpyrimidin-2-amine
CID 114734607
4-(7-chloro-1-benzofuran-2-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 114735047
2-(7-chloro-1-benzofuran-2-yl)pyridine-4-carboxylic acid
CID 115113759
6-(7-chloro-1-benzofuran-2-yl)-4-methylpyridin-3-amine
CID 114256473
N-ethyl-4-quinolin-8-ylpyrimidin-2-amine
CID 81221271
N-ethyl-4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine
CID 170573643
N'-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 103278875
N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]ethanamine
CID 106888210
6-(7-chloro-1-benzofuran-2-yl)-1H-pyrimidin-2-one
CID 106521970
N-ethyl-4-isoquinolin-8-ylpyrimidin-2-amine
CID 103144236
1-[4-(7-chloro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114732026
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105048673

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-1-benzofuran-2-yl)-N-ethylpyrimidin-2-amine?
The IUPAC name of 4-(7-chloro-1-benzofuran-2-yl)-N-ethylpyrimidin-2-amine (CID 114735069) is 4-(7-chloro-1-benzofuran-2-yl)-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 4-(7-chloro-1-benzofuran-2-yl)-N-ethylpyrimidin-2-amine?
The canonical SMILES for 4-(7-chloro-1-benzofuran-2-yl)-N-ethylpyrimidin-2-amine is CCNc1nccc(-c2cc3cccc(Cl)c3o2)n1.
What is the InChIKey of 4-(7-chloro-1-benzofuran-2-yl)-N-ethylpyrimidin-2-amine?
The InChIKey is OZNKHIXACJAQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-2-16-14-17-7-6-11(18-14)12-8-9-4-3-5-10(15)13(9)19-12/h3-8H,2H2,1H3,(H,16,17,18).
What are the key properties of 4-(7-chloro-1-benzofuran-2-yl)-N-ethylpyrimidin-2-amine?
4-(7-chloro-1-benzofuran-2-yl)-N-ethylpyrimidin-2-amine has a molecular weight of 273.72 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-1-benzofuran-2-yl)-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 114735069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).