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

C21H20F3N3O — CID 24909700

IUPAC6-[(4,5-dimethylfuran-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1cc(CN2CCc3nc(-c4ccc(C(F)(F)F)cc4)ncc3C2)oc1C
InChIInChI=1S/C21H20F3N3O/c1-13-9-18(28-14(13)2)12-27-8-7-19-16(11-27)10-25-20(26-19)15-3-5-17(6-4-15)21(22,23)24/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKeyDXYVHLQPJOOSPO-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.93
Rot. Bonds3

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

6-[(4,5-dimethylfuran-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24909700) has the molecular formula C21H20F3N3O and a molecular weight of 387.41 g/mol. Its IUPAC name is 6-[(4,5-dimethylfuran-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(4,5-dimethylfuran-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24909700
Molecular FormulaC21H20F3N3O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name6-[(4,5-dimethylfuran-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1cc(CN2CCc3nc(-c4ccc(C(F)(F)F)cc4)ncc3C2)oc1C
InChIInChI=1S/C21H20F3N3O/c1-13-9-18(28-14(13)2)12-27-8-7-19-16(11-27)10-25-20(26-19)15-3-5-17(6-4-15)21(22,23)24/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKeyDXYVHLQPJOOSPO-UHFFFAOYSA-N
XLogP4.93
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[5-(4-methylpiperidin-1-yl)furan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915202
2-amino-6,7-dimethyl-3-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-4-one
CID 24910435
6-[(1-methylpyrazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913375
6-[(3,4-diethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929989
6-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912304
6-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928330
7-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930273
2-pyridin-4-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910762
6-[(5-phenylthiophen-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911338
6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911863
2-(4-chlorophenyl)-6-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929571
6-[(2,3-difluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928267

Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethylfuran-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(4,5-dimethylfuran-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24909700) is 6-[(4,5-dimethylfuran-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(4,5-dimethylfuran-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(4,5-dimethylfuran-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1cc(CN2CCc3nc(-c4ccc(C(F)(F)F)cc4)ncc3C2)oc1C.
What is the InChIKey of 6-[(4,5-dimethylfuran-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is DXYVHLQPJOOSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O/c1-13-9-18(28-14(13)2)12-27-8-7-19-16(11-27)10-25-20(26-19)15-3-5-17(6-4-15)21(22,23)24/h3-6,9-10H,7-8,11-12H2,1-2H3.
What are the key properties of 6-[(4,5-dimethylfuran-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(4,5-dimethylfuran-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 387.41 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethylfuran-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24909700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).