2-propyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C18H20F3N3O — CID 24929877

IUPAC2-propyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCc1ncc2c(n1)CCN(Cc1ccccc1OC(F)(F)F)C2
InChIInChI=1S/C18H20F3N3O/c1-2-5-17-22-10-14-12-24(9-8-15(14)23-17)11-13-6-3-4-7-16(13)25-18(19,20)21/h3-4,6-7,10H,2,5,8-9,11-12H2,1H3
InChIKeyIASCKGUMTJMGEU-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.89
Rot. Bonds5

About 2-propyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-propyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24929877) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-propyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-propyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24929877
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC Name2-propyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCc1ncc2c(n1)CCN(Cc1ccccc1OC(F)(F)F)C2
InChIInChI=1S/C18H20F3N3O/c1-2-5-17-22-10-14-12-24(9-8-15(14)23-17)11-13-6-3-4-7-16(13)25-18(19,20)21/h3-4,6-7,10H,2,5,8-9,11-12H2,1H3
InChIKeyIASCKGUMTJMGEU-UHFFFAOYSA-N
XLogP3.89
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2,3-dimethoxyphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928302
6-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929457
6-[(2,6-dimethylphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928995
6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912003
6-[(4-chloro-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913725
6-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916560
6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912612
2-propyl-6-[(2,3,6-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928197
6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912024
6-[(2-methyl-1H-indol-3-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908982
6-[(3,4-dichlorophenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929961
2-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24910029

Frequently Asked Questions

What is the IUPAC name of 2-propyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-propyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24929877) is 2-propyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-propyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-propyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCCc1ncc2c(n1)CCN(Cc1ccccc1OC(F)(F)F)C2.
What is the InChIKey of 2-propyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is IASCKGUMTJMGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-2-5-17-22-10-14-12-24(9-8-15(14)23-17)11-13-6-3-4-7-16(13)25-18(19,20)21/h3-4,6-7,10H,2,5,8-9,11-12H2,1H3.
What are the key properties of 2-propyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-propyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 351.37 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24929877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).