6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C21H20N4O2 — CID 24914325

IUPAC6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ncc2c(n1)CCN(Cc1ccc(-c3ccc4c(c3)OCO4)nc1)C2
InChIInChI=1S/C21H20N4O2/c1-14-22-10-17-12-25(7-6-19(17)24-14)11-15-2-4-18(23-9-15)16-3-5-20-21(8-16)27-13-26-20/h2-5,8-10H,6-7,11-13H2,1H3
InChIKeyKFEUVJLOMBVCDH-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.13
Rot. Bonds3

About 6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24914325) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24914325
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ncc2c(n1)CCN(Cc1ccc(-c3ccc4c(c3)OCO4)nc1)C2
InChIInChI=1S/C21H20N4O2/c1-14-22-10-17-12-25(7-6-19(17)24-14)11-15-2-4-18(23-9-15)16-3-5-20-21(8-16)27-13-26-20/h2-5,8-10H,6-7,11-13H2,1H3
InChIKeyKFEUVJLOMBVCDH-UHFFFAOYSA-N
XLogP3.13
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914328
6-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914472
6-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914220
6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945746
6-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915526
6-[[6-(4-methylphenyl)-3-pyridinyl]methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914168
N-(1,3-benzodioxol-5-yl)-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960565
6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945754
2-methyl-6-[[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914031
6-[[6-(4-bromophenyl)-3-pyridinyl]methyl]-2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914264
6-[[6-(3,5-dichlorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24914415
2-tert-butyl-6-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914201

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24914325) is 6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ncc2c(n1)CCN(Cc1ccc(-c3ccc4c(c3)OCO4)nc1)C2.
What is the InChIKey of 6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is KFEUVJLOMBVCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-22-10-17-12-25(7-6-19(17)24-14)11-15-2-4-18(23-9-15)16-3-5-20-21(8-16)27-13-26-20/h2-5,8-10H,6-7,11-13H2,1H3.
What are the key properties of 6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 360.42 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24914325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).