2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-5-fluoro-N-methylpyrimidin-4-amine

C14H15FN4O — CID 56702922

IUPAC2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-5-fluoro-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2cccc3c2OC(CN)C3)ncc1F
InChIInChI=1S/C14H15FN4O/c1-17-14-11(15)7-18-13(19-14)10-4-2-3-8-5-9(6-16)20-12(8)10/h2-4,7,9H,5-6,16H2,1H3,(H,17,18,19)
InChIKeyDJDKPJTZZAKUAB-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.59
Rot. Bonds3

About 2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-5-fluoro-N-methylpyrimidin-4-amine

2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-5-fluoro-N-methylpyrimidin-4-amine (PubChem CID 56702922) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-5-fluoro-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-5-fluoro-N-methylpyrimidin-4-amine
PubChem CID56702922
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-5-fluoro-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2cccc3c2OC(CN)C3)ncc1F
InChIInChI=1S/C14H15FN4O/c1-17-14-11(15)7-18-13(19-14)10-4-2-3-8-5-9(6-16)20-12(8)10/h2-4,7,9H,5-6,16H2,1H3,(H,17,18,19)
InChIKeyDJDKPJTZZAKUAB-UHFFFAOYSA-N
XLogP1.59
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-5-fluoro-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-5-fluoro-N-methylpyrimidin-4-amine (CID 56702922) is 2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-5-fluoro-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-5-fluoro-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-5-fluoro-N-methylpyrimidin-4-amine is CNc1nc(-c2cccc3c2OC(CN)C3)ncc1F.
What is the InChIKey of 2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-5-fluoro-N-methylpyrimidin-4-amine?
The InChIKey is DJDKPJTZZAKUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-17-14-11(15)7-18-13(19-14)10-4-2-3-8-5-9(6-16)20-12(8)10/h2-4,7,9H,5-6,16H2,1H3,(H,17,18,19).
What are the key properties of 2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-5-fluoro-N-methylpyrimidin-4-amine?
2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-5-fluoro-N-methylpyrimidin-4-amine has a molecular weight of 274.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-5-fluoro-N-methylpyrimidin-4-amine is sourced from PubChem (CID 56702922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).