4-(5-fluoro-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine

C13H10FN3O — CID 114734817

IUPAC4-(5-fluoro-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2cc3cc(F)ccc3o2)n1
InChIInChI=1S/C13H10FN3O/c1-15-13-16-5-4-10(17-13)12-7-8-6-9(14)2-3-11(8)18-12/h2-7H,1H3,(H,15,16,17)
InChIKeyIPZRRGDUOPLKNK-UHFFFAOYSA-N
MW243.24 g/mol
LogP3.07
Rot. Bonds2

About 4-(5-fluoro-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine

4-(5-fluoro-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine (PubChem CID 114734817) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 4-(5-fluoro-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-fluoro-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine
PubChem CID114734817
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name4-(5-fluoro-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2cc3cc(F)ccc3o2)n1
InChIInChI=1S/C13H10FN3O/c1-15-13-16-5-4-10(17-13)12-7-8-6-9(14)2-3-11(8)18-12/h2-7H,1H3,(H,15,16,17)
InChIKeyIPZRRGDUOPLKNK-UHFFFAOYSA-N
XLogP3.07
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-bromo-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine
CID 55222406
2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine
CID 114734234
N-methyl-4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-amine
CID 116900562
4-(2,4-difluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80892854
6-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 114734829
4-(2,6-difluorophenyl)-N-methylpyrimidin-2-amine
CID 63550141
2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-ol
CID 25014934
N'-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 103278875
6-(5-fluoro-1-benzofuran-2-yl)-N-propylpyrazin-2-amine
CID 114734823
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 114727953
2-bromo-5-(5-fluoro-1-benzofuran-2-yl)-1,3,4-thiadiazole
CID 114734262
2-tert-butyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one
CID 136770179

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(5-fluoro-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine (CID 114734817) is 4-(5-fluoro-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(5-fluoro-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(5-fluoro-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine is CNc1nccc(-c2cc3cc(F)ccc3o2)n1.
What is the InChIKey of 4-(5-fluoro-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine?
The InChIKey is IPZRRGDUOPLKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c1-15-13-16-5-4-10(17-13)12-7-8-6-9(14)2-3-11(8)18-12/h2-7H,1H3,(H,15,16,17).
What are the key properties of 4-(5-fluoro-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine?
4-(5-fluoro-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine has a molecular weight of 243.24 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 114734817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).