6-(7-fluoro-1-benzofuran-2-yl)-N-propylpyrimidin-4-amine

C15H14FN3O — CID 114734949

IUPAC6-(7-fluoro-1-benzofuran-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cc3cccc(F)c3o2)ncn1
InChIInChI=1S/C15H14FN3O/c1-2-6-17-14-8-12(18-9-19-14)13-7-10-4-3-5-11(16)15(10)20-13/h3-5,7-9H,2,6H2,1H3,(H,17,18,19)
InChIKeySUQQHLPLMUUZEB-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.85
Rot. Bonds4

About 6-(7-fluoro-1-benzofuran-2-yl)-N-propylpyrimidin-4-amine

6-(7-fluoro-1-benzofuran-2-yl)-N-propylpyrimidin-4-amine (PubChem CID 114734949) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 6-(7-fluoro-1-benzofuran-2-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(7-fluoro-1-benzofuran-2-yl)-N-propylpyrimidin-4-amine
PubChem CID114734949
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name6-(7-fluoro-1-benzofuran-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cc3cccc(F)c3o2)ncn1
InChIInChI=1S/C15H14FN3O/c1-2-6-17-14-8-12(18-9-19-14)13-7-10-4-3-5-11(16)15(10)20-13/h3-5,7-9H,2,6H2,1H3,(H,17,18,19)
InChIKeySUQQHLPLMUUZEB-UHFFFAOYSA-N
XLogP3.85
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(7-fluoro-1-benzofuran-2-yl)-5-propylpyrimidine
CID 114734319
4-(7-methyl-1-benzofuran-2-yl)-N-propylpyrimidin-2-amine
CID 114734607
2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734954
4-bromo-2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidine
CID 114734330
4-(7-chloro-1-benzofuran-2-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 114735047
2-chloro-6-(7-fluoro-1-benzofuran-2-yl)pyrazine
CID 114734299
4-bromo-6-(7-fluoro-1-benzofuran-2-yl)-2-methylpyrimidine
CID 114734322
8-fluoro-3-propan-2-yl-N-propylquinolin-2-amine
CID 63524722
N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923898
2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid
CID 115113758
6-(3-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine
CID 79689981
N-[[3-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732481

Frequently Asked Questions

What is the IUPAC name of 6-(7-fluoro-1-benzofuran-2-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(7-fluoro-1-benzofuran-2-yl)-N-propylpyrimidin-4-amine (CID 114734949) is 6-(7-fluoro-1-benzofuran-2-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(7-fluoro-1-benzofuran-2-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(7-fluoro-1-benzofuran-2-yl)-N-propylpyrimidin-4-amine is CCCNc1cc(-c2cc3cccc(F)c3o2)ncn1.
What is the InChIKey of 6-(7-fluoro-1-benzofuran-2-yl)-N-propylpyrimidin-4-amine?
The InChIKey is SUQQHLPLMUUZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-2-6-17-14-8-12(18-9-19-14)13-7-10-4-3-5-11(16)15(10)20-13/h3-5,7-9H,2,6H2,1H3,(H,17,18,19).
What are the key properties of 6-(7-fluoro-1-benzofuran-2-yl)-N-propylpyrimidin-4-amine?
6-(7-fluoro-1-benzofuran-2-yl)-N-propylpyrimidin-4-amine has a molecular weight of 271.30 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-fluoro-1-benzofuran-2-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 114734949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).