4-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]morpholine

C18H19F3N4O — CID 171365331

IUPAC4-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]morpholine
SMILESFC(F)(F)c1cccc(-c2nc3c(c(N4CCOCC4)n2)CCNC3)c1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)13-3-1-2-12(10-13)16-23-15-11-22-5-4-14(15)17(24-16)25-6-8-26-9-7-25/h1-3,10,22H,4-9,11H2
InChIKeyKPGCKKCQBINPKT-UHFFFAOYSA-N
MW364.37 g/mol
LogP2.64
Rot. Bonds2

About 4-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]morpholine

4-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]morpholine (PubChem CID 171365331) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 4-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]morpholine
PubChem CID171365331
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name4-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]morpholine
SMILESFC(F)(F)c1cccc(-c2nc3c(c(N4CCOCC4)n2)CCNC3)c1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)13-3-1-2-12(10-13)16-23-15-11-22-5-4-14(15)17(24-16)25-6-8-26-9-7-25/h1-3,10,22H,4-9,11H2
InChIKeyKPGCKKCQBINPKT-UHFFFAOYSA-N
XLogP2.64
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]morpholine;dihydrochloride
CID 171365336
[3,5-bis(trifluoromethyl)phenyl]-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42787769
2-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 62548928
3-(6-morpholin-4-yl-8-thia-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-4-yl)phenol
CID 56838481
2-(3-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 66525351
N-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56758389
N-(4-morpholin-4-ylphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 71138160
2-phenyl-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 3654198
(3S)-1-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 95207884
4-[7-chloro-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-yl]morpholine
CID 20874488
[4-(2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)morpholin-2-yl]methanamine
CID 56896849
4-[2-(3-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine
CID 42635323

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]morpholine (CID 171365331) is 4-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]morpholine is FC(F)(F)c1cccc(-c2nc3c(c(N4CCOCC4)n2)CCNC3)c1.
What is the InChIKey of 4-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is KPGCKKCQBINPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c19-18(20,21)13-3-1-2-12(10-13)16-23-15-11-22-5-4-14(15)17(24-16)25-6-8-26-9-7-25/h1-3,10,22H,4-9,11H2.
What are the key properties of 4-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]morpholine?
4-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 364.37 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 171365331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).