2-anilino-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one

C17H13F2N3O — CID 135524729

IUPAC2-anilino-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one
SMILESO=c1cc(Cc2c(F)cccc2F)nc(Nc2ccccc2)[nH]1
InChIInChI=1S/C17H13F2N3O/c18-14-7-4-8-15(19)13(14)9-12-10-16(23)22-17(21-12)20-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,20,21,22,23)
InChIKeyYNWHHQSQIYPNTE-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.38
Rot. Bonds4

About 2-anilino-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one

2-anilino-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 135524729) has the molecular formula C17H13F2N3O and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-anilino-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-anilino-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one
PubChem CID135524729
Molecular FormulaC17H13F2N3O
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name2-anilino-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one
SMILESO=c1cc(Cc2c(F)cccc2F)nc(Nc2ccccc2)[nH]1
InChIInChI=1S/C17H13F2N3O/c18-14-7-4-8-15(19)13(14)9-12-10-16(23)22-17(21-12)20-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,20,21,22,23)
InChIKeyYNWHHQSQIYPNTE-UHFFFAOYSA-N
XLogP3.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-anilino-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one (CID 135524729) is 2-anilino-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-anilino-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-anilino-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one is O=c1cc(Cc2c(F)cccc2F)nc(Nc2ccccc2)[nH]1.
What is the InChIKey of 2-anilino-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is YNWHHQSQIYPNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O/c18-14-7-4-8-15(19)13(14)9-12-10-16(23)22-17(21-12)20-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,20,21,22,23).
What are the key properties of 2-anilino-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one?
2-anilino-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 313.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135524729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).