2-anilino-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one

C18H15F2N3O — CID 135524732

IUPAC2-anilino-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(Cc2c(F)cccc2F)nc(Nc2ccccc2)[nH]c1=O
InChIInChI=1S/C18H15F2N3O/c1-11-16(10-13-14(19)8-5-9-15(13)20)22-18(23-17(11)24)21-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H2,21,22,23,24)
InChIKeyIASZKUUYILYGRA-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.69
Rot. Bonds4

About 2-anilino-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one

2-anilino-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one (PubChem CID 135524732) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is 2-anilino-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-anilino-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one
PubChem CID135524732
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC Name2-anilino-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(Cc2c(F)cccc2F)nc(Nc2ccccc2)[nH]c1=O
InChIInChI=1S/C18H15F2N3O/c1-11-16(10-13-14(19)8-5-9-15(13)20)22-18(23-17(11)24)21-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H2,21,22,23,24)
InChIKeyIASZKUUYILYGRA-UHFFFAOYSA-N
XLogP3.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.69
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]-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-anilino-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one (CID 135524732) is 2-anilino-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-anilino-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-anilino-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one is Cc1c(Cc2c(F)cccc2F)nc(Nc2ccccc2)[nH]c1=O.
What is the InChIKey of 2-anilino-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one?
The InChIKey is IASZKUUYILYGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c1-11-16(10-13-14(19)8-5-9-15(13)20)22-18(23-17(11)24)21-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H2,21,22,23,24).
What are the key properties of 2-anilino-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one?
2-anilino-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one has a molecular weight of 327.33 g/mol, XLogP of 3.69, 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]-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135524732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).