2-methyl-6-morpholin-4-yl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[4,3-d]pyrimidin-7-one

C20H20F3N5O2 — CID 164555159

IUPAC2-methyl-6-morpholin-4-yl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[4,3-d]pyrimidin-7-one
SMILESCc1nc(NCc2cccc(C(F)(F)F)c2)c2cn(N3CCOCC3)c(=O)cc2n1
InChIInChI=1S/C20H20F3N5O2/c1-13-25-17-10-18(29)28(27-5-7-30-8-6-27)12-16(17)19(26-13)24-11-14-3-2-4-15(9-14)20(21,22)23/h2-4,9-10,12H,5-8,11H2,1H3,(H,24,25,26)
InChIKeyWIPIQYDRQXYCDR-UHFFFAOYSA-N
MW419.41 g/mol
LogP2.70
Rot. Bonds4

About 2-methyl-6-morpholin-4-yl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[4,3-d]pyrimidin-7-one

2-methyl-6-morpholin-4-yl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[4,3-d]pyrimidin-7-one (PubChem CID 164555159) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is 2-methyl-6-morpholin-4-yl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-6-morpholin-4-yl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[4,3-d]pyrimidin-7-one
PubChem CID164555159
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC Name2-methyl-6-morpholin-4-yl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[4,3-d]pyrimidin-7-one
SMILESCc1nc(NCc2cccc(C(F)(F)F)c2)c2cn(N3CCOCC3)c(=O)cc2n1
InChIInChI=1S/C20H20F3N5O2/c1-13-25-17-10-18(29)28(27-5-7-30-8-6-27)12-16(17)19(26-13)24-11-14-3-2-4-15(9-14)20(21,22)23/h2-4,9-10,12H,5-8,11H2,1H3,(H,24,25,26)
InChIKeyWIPIQYDRQXYCDR-UHFFFAOYSA-N
XLogP2.70
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-morpholin-4-yl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[4,3-d]pyrimidin-7-one?
The IUPAC name of 2-methyl-6-morpholin-4-yl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[4,3-d]pyrimidin-7-one (CID 164555159) is 2-methyl-6-morpholin-4-yl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-6-morpholin-4-yl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[4,3-d]pyrimidin-7-one?
The canonical SMILES for 2-methyl-6-morpholin-4-yl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[4,3-d]pyrimidin-7-one is Cc1nc(NCc2cccc(C(F)(F)F)c2)c2cn(N3CCOCC3)c(=O)cc2n1.
What is the InChIKey of 2-methyl-6-morpholin-4-yl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[4,3-d]pyrimidin-7-one?
The InChIKey is WIPIQYDRQXYCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c1-13-25-17-10-18(29)28(27-5-7-30-8-6-27)12-16(17)19(26-13)24-11-14-3-2-4-15(9-14)20(21,22)23/h2-4,9-10,12H,5-8,11H2,1H3,(H,24,25,26).
What are the key properties of 2-methyl-6-morpholin-4-yl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[4,3-d]pyrimidin-7-one?
2-methyl-6-morpholin-4-yl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[4,3-d]pyrimidin-7-one has a molecular weight of 419.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-morpholin-4-yl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 164555159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).