6-(2,2-difluoromorpholin-4-yl)-8-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one

C19H16F4N4O2 — CID 170711699

IUPAC6-(2,2-difluoromorpholin-4-yl)-8-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(-c3ccc(F)cc3F)nc(N3CCOC(F)(F)C3)cc2c(=O)n1C
InChIInChI=1S/C19H16F4N4O2/c1-10-24-17-13(18(28)26(10)2)8-15(27-5-6-29-19(22,23)9-27)25-16(17)12-4-3-11(20)7-14(12)21/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyJLTGVRJSXIWYOL-UHFFFAOYSA-N
MW408.36 g/mol
LogP3.01
Rot. Bonds2

About 6-(2,2-difluoromorpholin-4-yl)-8-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one

6-(2,2-difluoromorpholin-4-yl)-8-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one (PubChem CID 170711699) has the molecular formula C19H16F4N4O2 and a molecular weight of 408.36 g/mol. Its IUPAC name is 6-(2,2-difluoromorpholin-4-yl)-8-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2,2-difluoromorpholin-4-yl)-8-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one
PubChem CID170711699
Molecular FormulaC19H16F4N4O2
Molecular Weight408.36 g/mol
Exact Mass408.12
IUPAC Name6-(2,2-difluoromorpholin-4-yl)-8-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(-c3ccc(F)cc3F)nc(N3CCOC(F)(F)C3)cc2c(=O)n1C
InChIInChI=1S/C19H16F4N4O2/c1-10-24-17-13(18(28)26(10)2)8-15(27-5-6-29-19(22,23)9-27)25-16(17)12-4-3-11(20)7-14(12)21/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyJLTGVRJSXIWYOL-UHFFFAOYSA-N
XLogP3.01
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoromorpholin-4-yl)-8-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-(2,2-difluoromorpholin-4-yl)-8-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one (CID 170711699) is 6-(2,2-difluoromorpholin-4-yl)-8-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2,2-difluoromorpholin-4-yl)-8-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(2,2-difluoromorpholin-4-yl)-8-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one is Cc1nc2c(-c3ccc(F)cc3F)nc(N3CCOC(F)(F)C3)cc2c(=O)n1C.
What is the InChIKey of 6-(2,2-difluoromorpholin-4-yl)-8-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one?
The InChIKey is JLTGVRJSXIWYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O2/c1-10-24-17-13(18(28)26(10)2)8-15(27-5-6-29-19(22,23)9-27)25-16(17)12-4-3-11(20)7-14(12)21/h3-4,7-8H,5-6,9H2,1-2H3.
What are the key properties of 6-(2,2-difluoromorpholin-4-yl)-8-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one?
6-(2,2-difluoromorpholin-4-yl)-8-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one has a molecular weight of 408.36 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoromorpholin-4-yl)-8-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 170711699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).