8-[6-(difluoromethyl)-3-pyridinyl]-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one

C21H23F2N5O2 — CID 170711649

IUPAC8-[6-(difluoromethyl)-3-pyridinyl]-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(-c3ccc(C(F)F)nc3)nc(N3CCOC(C)(C)C3)cc2c(=O)n1C
InChIInChI=1S/C21H23F2N5O2/c1-12-25-18-14(20(29)27(12)4)9-16(28-7-8-30-21(2,3)11-28)26-17(18)13-5-6-15(19(22)23)24-10-13/h5-6,9-10,19H,7-8,11H2,1-4H3
InChIKeyVWCFXQXJUQVBLG-UHFFFAOYSA-N
MW415.44 g/mol
LogP3.25
Rot. Bonds3

About 8-[6-(difluoromethyl)-3-pyridinyl]-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one

8-[6-(difluoromethyl)-3-pyridinyl]-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one (PubChem CID 170711649) has the molecular formula C21H23F2N5O2 and a molecular weight of 415.44 g/mol. Its IUPAC name is 8-[6-(difluoromethyl)-3-pyridinyl]-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-[6-(difluoromethyl)-3-pyridinyl]-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one
PubChem CID170711649
Molecular FormulaC21H23F2N5O2
Molecular Weight415.44 g/mol
Exact Mass415.18
IUPAC Name8-[6-(difluoromethyl)-3-pyridinyl]-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(-c3ccc(C(F)F)nc3)nc(N3CCOC(C)(C)C3)cc2c(=O)n1C
InChIInChI=1S/C21H23F2N5O2/c1-12-25-18-14(20(29)27(12)4)9-16(28-7-8-30-21(2,3)11-28)26-17(18)13-5-6-15(19(22)23)24-10-13/h5-6,9-10,19H,7-8,11H2,1-4H3
InChIKeyVWCFXQXJUQVBLG-UHFFFAOYSA-N
XLogP3.25
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[6-(difluoromethyl)-3-pyridinyl]-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

8-(4-chloro-2-fluorophenyl)-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one;1-methylpyrazole
CID 170711606
6-(2,2-difluoromorpholin-4-yl)-8-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one
CID 170711699
2,3-dimethyl-6-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-d]pyrimidin-4-one
CID 170711533
2,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-d]pyrimidin-4-one
CID 170711724
6-(2,2-dimethylmorpholin-4-yl)-2-methylpyrimidin-4-amine
CID 80792036
2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4,5-trifluorophenyl)pyrido[3,4-d]pyrimidin-4-one
CID 174162995
4-(5-bromo-2-pyridinyl)-2,2-dimethylmorpholine
CID 61375097
6-(2,2-dimethylmorpholin-4-yl)pyrazin-2-amine
CID 78989049
8-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(2-methoxy-4-pyridinyl)morpholin-4-yl]-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one
CID 172611966
4-(2,2-dimethylmorpholin-4-yl)-2-ethyl-1H-pyrimidin-6-one
CID 137009203
4-[2-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-(2,2-dimethylmorpholin-4-yl)pyrimidin-4-yl]-2,2-dimethylmorpholine
CID 68692944
4-[3-(difluoromethyl)-4-methylphenyl]-2,2-dimethylmorpholine;ethane
CID 143922330

Frequently Asked Questions

What is the IUPAC name of 8-[6-(difluoromethyl)-3-pyridinyl]-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 8-[6-(difluoromethyl)-3-pyridinyl]-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one (CID 170711649) is 8-[6-(difluoromethyl)-3-pyridinyl]-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 8-[6-(difluoromethyl)-3-pyridinyl]-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 8-[6-(difluoromethyl)-3-pyridinyl]-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one is Cc1nc2c(-c3ccc(C(F)F)nc3)nc(N3CCOC(C)(C)C3)cc2c(=O)n1C.
What is the InChIKey of 8-[6-(difluoromethyl)-3-pyridinyl]-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one?
The InChIKey is VWCFXQXJUQVBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O2/c1-12-25-18-14(20(29)27(12)4)9-16(28-7-8-30-21(2,3)11-28)26-17(18)13-5-6-15(19(22)23)24-10-13/h5-6,9-10,19H,7-8,11H2,1-4H3.
What are the key properties of 8-[6-(difluoromethyl)-3-pyridinyl]-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one?
8-[6-(difluoromethyl)-3-pyridinyl]-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one has a molecular weight of 415.44 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(difluoromethyl)-3-pyridinyl]-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 170711649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).