6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C20H24F3N5O2 — CID 135946282

IUPAC6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC1CN(c2ccc(CN3CCc4nc(C(F)(F)F)[nH]c(=O)c4C3)cn2)CC(C)O1
InChIInChI=1S/C20H24F3N5O2/c1-12-8-28(9-13(2)30-12)17-4-3-14(7-24-17)10-27-6-5-16-15(11-27)18(29)26-19(25-16)20(21,22)23/h3-4,7,12-13H,5-6,8-11H2,1-2H3,(H,25,26,29)
InChIKeyUYMSPWKUMDVQAC-UHFFFAOYSA-N
MW423.44 g/mol
LogP2.36
Rot. Bonds3

About 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135946282) has the molecular formula C20H24F3N5O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135946282
Molecular FormulaC20H24F3N5O2
Molecular Weight423.44 g/mol
Exact Mass423.19
IUPAC Name6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC1CN(c2ccc(CN3CCc4nc(C(F)(F)F)[nH]c(=O)c4C3)cn2)CC(C)O1
InChIInChI=1S/C20H24F3N5O2/c1-12-8-28(9-13(2)30-12)17-4-3-14(7-24-17)10-27-6-5-16-15(11-27)18(29)26-19(25-16)20(21,22)23/h3-4,7,12-13H,5-6,8-11H2,1-2H3,(H,25,26,29)
InChIKeyUYMSPWKUMDVQAC-UHFFFAOYSA-N
XLogP2.36
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946294
6-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945642
6-[(4-butoxyphenyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919365
6-[[6-(4-bromophenyl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945682
6-[[4-(dimethylamino)phenyl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919544
6-[(3,4-dimethylphenyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918407
6-[(3-chloro-4-methylphenyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918747
4-[[4-oxo-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile
CID 135919824
2-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943280
6-[(3-chloro-4-fluorophenyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918667
2-cyclopropyl-6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946072
6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946068

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135946282) is 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC1CN(c2ccc(CN3CCc4nc(C(F)(F)F)[nH]c(=O)c4C3)cn2)CC(C)O1.
What is the InChIKey of 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is UYMSPWKUMDVQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O2/c1-12-8-28(9-13(2)30-12)17-4-3-14(7-24-17)10-27-6-5-16-15(11-27)18(29)26-19(25-16)20(21,22)23/h3-4,7,12-13H,5-6,8-11H2,1-2H3,(H,25,26,29).
What are the key properties of 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 423.44 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135946282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).