4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine

C13H13FN4O — CID 80835746

IUPAC4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NC2COc3ccccc32)n1
InChIInChI=1S/C13H13FN4O/c1-15-13-16-6-9(14)12(18-13)17-10-7-19-11-5-3-2-4-8(10)11/h2-6,10H,7H2,1H3,(H2,15,16,17,18)
InChIKeyHBJJPZHXEHJVTD-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.20
Rot. Bonds3

About 4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine

4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80835746) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
PubChem CID80835746
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NC2COc3ccccc32)n1
InChIInChI=1S/C13H13FN4O/c1-15-13-16-6-9(14)12(18-13)17-10-7-19-11-5-3-2-4-8(10)11/h2-6,10H,7H2,1H3,(H2,15,16,17,18)
InChIKeyHBJJPZHXEHJVTD-UHFFFAOYSA-N
XLogP2.20
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80835565
4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80801156
4-N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 107855407
4-N-(2,3-dihydro-1-benzofuran-3-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80835656
N-(2,3-dihydro-1-benzofuran-3-yl)-5,6-dimethylpyrazin-2-amine
CID 114475837
4-N-(2-bromophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80760549
4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyridine-2,4-diamine
CID 113367866
N-(2,3-dihydro-1-benzofuran-3-yl)-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385634
3-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 62065042
4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80827015
4-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80777131
2-(2,3-dihydro-1-benzofuran-3-ylamino)-3-nitropyridine-4-carbonitrile
CID 82794901

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine (CID 80835746) is 4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(F)c(NC2COc3ccccc32)n1.
What is the InChIKey of 4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is HBJJPZHXEHJVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c1-15-13-16-6-9(14)12(18-13)17-10-7-19-11-5-3-2-4-8(10)11/h2-6,10H,7H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 260.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80835746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).