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

C20H18F3N3O — CID 24910734

IUPAC2-methyl-6-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ncc2c(n1)CCN(Cc1ccc(-c3ccccc3C(F)(F)F)o1)C2
InChIInChI=1S/C20H18F3N3O/c1-13-24-10-14-11-26(9-8-18(14)25-13)12-15-6-7-19(27-15)16-4-2-3-5-17(16)20(21,22)23/h2-7,10H,8-9,11-12H2,1H3
InChIKeyWKTMXOBWQZOVGW-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.62
Rot. Bonds3

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

2-methyl-6-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24910734) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-methyl-6-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-6-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24910734
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name2-methyl-6-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ncc2c(n1)CCN(Cc1ccc(-c3ccccc3C(F)(F)F)o1)C2
InChIInChI=1S/C20H18F3N3O/c1-13-24-10-14-11-26(9-8-18(14)25-13)12-15-6-7-19(27-15)16-4-2-3-5-17(16)20(21,22)23/h2-7,10H,8-9,11-12H2,1H3
InChIKeyWKTMXOBWQZOVGW-UHFFFAOYSA-N
XLogP4.62
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-3-yl-6-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910742
2-methyl-6-[[5-(2-nitrophenyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910650
6-[(2,6-dimethylphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928986
6-[(5-phenylfuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911839
6-[[5-(2-nitrophenyl)furan-2-yl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910659
2-pyridin-4-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910762
2-methyl-6-[[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914031
6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24929895
2-thiophen-2-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910774
6-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929457
4-[6-[[5-(2-nitrophenyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24910665
6-[[5-(2-nitrophenyl)furan-2-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910658

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-methyl-6-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24910734) is 2-methyl-6-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-6-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-methyl-6-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ncc2c(n1)CCN(Cc1ccc(-c3ccccc3C(F)(F)F)o1)C2.
What is the InChIKey of 2-methyl-6-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is WKTMXOBWQZOVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-13-24-10-14-11-26(9-8-18(14)25-13)12-15-6-7-19(27-15)16-4-2-3-5-17(16)20(21,22)23/h2-7,10H,8-9,11-12H2,1H3.
What are the key properties of 2-methyl-6-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-methyl-6-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 373.38 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24910734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).