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

C20H21N3O — CID 24928683

IUPAC6-[(2,4-dimethylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccc(CN2CCc3nc(-c4ccco4)ncc3C2)c(C)c1
InChIInChI=1S/C20H21N3O/c1-14-5-6-16(15(2)10-14)12-23-8-7-18-17(13-23)11-21-20(22-18)19-4-3-9-24-19/h3-6,9-11H,7-8,12-13H2,1-2H3
InChIKeyYDWLRLOSIOIHRL-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.91
Rot. Bonds3

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

6-[(2,4-dimethylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24928683) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 6-[(2,4-dimethylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(2,4-dimethylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24928683
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name6-[(2,4-dimethylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccc(CN2CCc3nc(-c4ccco4)ncc3C2)c(C)c1
InChIInChI=1S/C20H21N3O/c1-14-5-6-16(15(2)10-14)12-23-8-7-18-17(13-23)11-21-20(22-18)19-4-3-9-24-19/h3-6,9-11H,7-8,12-13H2,1-2H3
InChIKeyYDWLRLOSIOIHRL-UHFFFAOYSA-N
XLogP3.91
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[(2,4-dimethylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

2-(furan-2-yl)-6-[(4-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917087
6-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928620
2-(furan-2-yl)-6-[(5-methyl-1H-imidazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910326
6-[(2,4-dimethylphenyl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928690
5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-4-methyl-1,3-thiazole
CID 24916500
2-(furan-2-yl)-6-[(2-nitrophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929859
5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 24913203
1-[3-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone
CID 24909276
7-[(2,4-dimethylphenyl)methyl]-2-(furan-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863755
1-[5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]thiophen-2-yl]ethanone
CID 24910977
5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-carboxylic acid
CID 24909111
6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911733

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dimethylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(2,4-dimethylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24928683) is 6-[(2,4-dimethylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(2,4-dimethylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(2,4-dimethylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ccc(CN2CCc3nc(-c4ccco4)ncc3C2)c(C)c1.
What is the InChIKey of 6-[(2,4-dimethylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is YDWLRLOSIOIHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-5-6-16(15(2)10-14)12-23-8-7-18-17(13-23)11-21-20(22-18)19-4-3-9-24-19/h3-6,9-11H,7-8,12-13H2,1-2H3.
What are the key properties of 6-[(2,4-dimethylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(2,4-dimethylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 319.41 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dimethylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24928683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).