1-[(3,5-difluorophenyl)methyl]-2-(2,3-dihydro-1H-indol-4-ylamino)-5-fluoropyrimidin-4-one

C19H15F3N4O — CID 134291129

IUPAC1-[(3,5-difluorophenyl)methyl]-2-(2,3-dihydro-1H-indol-4-ylamino)-5-fluoropyrimidin-4-one
SMILESO=c1nc(Nc2cccc3c2CCN3)n(Cc2cc(F)cc(F)c2)cc1F
InChIInChI=1S/C19H15F3N4O/c20-12-6-11(7-13(21)8-12)9-26-10-15(22)18(27)25-19(26)24-17-3-1-2-16-14(17)4-5-23-16/h1-3,6-8,10,23H,4-5,9H2,(H,24,25,27)
InChIKeyUIZSCHQFZNGMCZ-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.42
Rot. Bonds4

About 1-[(3,5-difluorophenyl)methyl]-2-(2,3-dihydro-1H-indol-4-ylamino)-5-fluoropyrimidin-4-one

1-[(3,5-difluorophenyl)methyl]-2-(2,3-dihydro-1H-indol-4-ylamino)-5-fluoropyrimidin-4-one (PubChem CID 134291129) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-2-(2,3-dihydro-1H-indol-4-ylamino)-5-fluoropyrimidin-4-one.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-2-(2,3-dihydro-1H-indol-4-ylamino)-5-fluoropyrimidin-4-one
PubChem CID134291129
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name1-[(3,5-difluorophenyl)methyl]-2-(2,3-dihydro-1H-indol-4-ylamino)-5-fluoropyrimidin-4-one
SMILESO=c1nc(Nc2cccc3c2CCN3)n(Cc2cc(F)cc(F)c2)cc1F
InChIInChI=1S/C19H15F3N4O/c20-12-6-11(7-13(21)8-12)9-26-10-15(22)18(27)25-19(26)24-17-3-1-2-16-14(17)4-5-23-16/h1-3,6-8,10,23H,4-5,9H2,(H,24,25,27)
InChIKeyUIZSCHQFZNGMCZ-UHFFFAOYSA-N
XLogP3.42
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-2-(2,3-dihydro-1H-indol-4-ylamino)-5-fluoropyrimidin-4-one?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-2-(2,3-dihydro-1H-indol-4-ylamino)-5-fluoropyrimidin-4-one (CID 134291129) is 1-[(3,5-difluorophenyl)methyl]-2-(2,3-dihydro-1H-indol-4-ylamino)-5-fluoropyrimidin-4-one.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-2-(2,3-dihydro-1H-indol-4-ylamino)-5-fluoropyrimidin-4-one?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-2-(2,3-dihydro-1H-indol-4-ylamino)-5-fluoropyrimidin-4-one is O=c1nc(Nc2cccc3c2CCN3)n(Cc2cc(F)cc(F)c2)cc1F.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-2-(2,3-dihydro-1H-indol-4-ylamino)-5-fluoropyrimidin-4-one?
The InChIKey is UIZSCHQFZNGMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-12-6-11(7-13(21)8-12)9-26-10-15(22)18(27)25-19(26)24-17-3-1-2-16-14(17)4-5-23-16/h1-3,6-8,10,23H,4-5,9H2,(H,24,25,27).
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-2-(2,3-dihydro-1H-indol-4-ylamino)-5-fluoropyrimidin-4-one?
1-[(3,5-difluorophenyl)methyl]-2-(2,3-dihydro-1H-indol-4-ylamino)-5-fluoropyrimidin-4-one has a molecular weight of 372.35 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-2-(2,3-dihydro-1H-indol-4-ylamino)-5-fluoropyrimidin-4-one is sourced from PubChem (CID 134291129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).