4-amino-2-anilino-6-(2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one

C20H15F2N5O — CID 118289611

IUPAC4-amino-2-anilino-6-(2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2c(F)cccc2F)cc2c(N)nc(Nc3ccccc3)nc21
InChIInChI=1S/C20H15F2N5O/c1-27-18-13(10-12(19(27)28)16-14(21)8-5-9-15(16)22)17(23)25-20(26-18)24-11-6-3-2-4-7-11/h2-10H,1H3,(H3,23,24,25,26)
InChIKeyQTPHYOKRTHHFQX-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.60
Rot. Bonds3

About 4-amino-2-anilino-6-(2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one

4-amino-2-anilino-6-(2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 118289611) has the molecular formula C20H15F2N5O and a molecular weight of 379.37 g/mol. Its IUPAC name is 4-amino-2-anilino-6-(2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-amino-2-anilino-6-(2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID118289611
Molecular FormulaC20H15F2N5O
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name4-amino-2-anilino-6-(2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2c(F)cccc2F)cc2c(N)nc(Nc3ccccc3)nc21
InChIInChI=1S/C20H15F2N5O/c1-27-18-13(10-12(19(27)28)16-14(21)8-5-9-15(16)22)17(23)25-20(26-18)24-11-6-3-2-4-7-11/h2-10H,1H3,(H3,23,24,25,26)
InChIKeyQTPHYOKRTHHFQX-UHFFFAOYSA-N
XLogP3.60
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-anilino-6-(2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-amino-2-anilino-6-(2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 118289611) is 4-amino-2-anilino-6-(2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-amino-2-anilino-6-(2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-amino-2-anilino-6-(2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(-c2c(F)cccc2F)cc2c(N)nc(Nc3ccccc3)nc21.
What is the InChIKey of 4-amino-2-anilino-6-(2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QTPHYOKRTHHFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O/c1-27-18-13(10-12(19(27)28)16-14(21)8-5-9-15(16)22)17(23)25-20(26-18)24-11-6-3-2-4-7-11/h2-10H,1H3,(H3,23,24,25,26).
What are the key properties of 4-amino-2-anilino-6-(2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
4-amino-2-anilino-6-(2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 379.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-anilino-6-(2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 118289611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).