6-(2,4-difluorophenyl)-8-ethyl-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

C17H16F2N4O — CID 67478379

IUPAC6-(2,4-difluorophenyl)-8-ethyl-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(F)cc2F)cc2c(C)nc(NC)nc21
InChIInChI=1S/C17H16F2N4O/c1-4-23-15-12(9(2)21-17(20-3)22-15)8-13(16(23)24)11-6-5-10(18)7-14(11)19/h5-8H,4H2,1-3H3,(H,20,21,22)
InChIKeyYCDGQEBJZUNTAB-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.11
Rot. Bonds3

About 6-(2,4-difluorophenyl)-8-ethyl-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

6-(2,4-difluorophenyl)-8-ethyl-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 67478379) has the molecular formula C17H16F2N4O and a molecular weight of 330.34 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-8-ethyl-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-8-ethyl-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID67478379
Molecular FormulaC17H16F2N4O
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name6-(2,4-difluorophenyl)-8-ethyl-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(F)cc2F)cc2c(C)nc(NC)nc21
InChIInChI=1S/C17H16F2N4O/c1-4-23-15-12(9(2)21-17(20-3)22-15)8-13(16(23)24)11-6-5-10(18)7-14(11)19/h5-8H,4H2,1-3H3,(H,20,21,22)
InChIKeyYCDGQEBJZUNTAB-UHFFFAOYSA-N
XLogP3.11
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-8-ethyl-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,4-difluorophenyl)-8-ethyl-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one (CID 67478379) is 6-(2,4-difluorophenyl)-8-ethyl-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,4-difluorophenyl)-8-ethyl-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,4-difluorophenyl)-8-ethyl-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(F)cc2F)cc2c(C)nc(NC)nc21.
What is the InChIKey of 6-(2,4-difluorophenyl)-8-ethyl-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YCDGQEBJZUNTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O/c1-4-23-15-12(9(2)21-17(20-3)22-15)8-13(16(23)24)11-6-5-10(18)7-14(11)19/h5-8H,4H2,1-3H3,(H,20,21,22).
What are the key properties of 6-(2,4-difluorophenyl)-8-ethyl-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
6-(2,4-difluorophenyl)-8-ethyl-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 330.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-8-ethyl-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 67478379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).