N-(1,3-benzodioxol-5-yl)-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C23H24N4O2 — CID 20960565

IUPACN-(1,3-benzodioxol-5-yl)-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCc1ccc(CN2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)cc1C
InChIInChI=1S/C23H24N4O2/c1-15-3-4-17(9-16(15)2)12-27-8-7-20-18(13-27)11-24-23(26-20)25-19-5-6-21-22(10-19)29-14-28-21/h3-6,9-11H,7-8,12-14H2,1-2H3,(H,24,25,26)
InChIKeyAGYKYIDFTZGOTD-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.12
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

N-(1,3-benzodioxol-5-yl)-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 20960565) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID20960565
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCc1ccc(CN2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)cc1C
InChIInChI=1S/C23H24N4O2/c1-15-3-4-17(9-16(15)2)12-27-8-7-20-18(13-27)11-24-23(26-20)25-19-5-6-21-22(10-19)29-14-28-21/h3-6,9-11H,7-8,12-14H2,1-2H3,(H,24,25,26)
InChIKeyAGYKYIDFTZGOTD-UHFFFAOYSA-N
XLogP4.12
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-yl)-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine 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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(3,4-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960592
N-(1,3-benzodioxol-5-yl)-6-[(2-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960551
6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960493
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(2,4-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960580
2-cyclopropyl-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930113
N-(4-methoxyphenyl)-6-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960365
6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914325
6-[(3,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 46345905
6-[(3-chlorophenyl)methyl]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 46346006
6-[(3-ethoxyphenyl)methyl]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960622
6-[(3-bromophenyl)methyl]-N-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960358
6-[(3,4-dimethylphenyl)methyl]-2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92558683

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 20960565) is N-(1,3-benzodioxol-5-yl)-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is Cc1ccc(CN2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)cc1C.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is AGYKYIDFTZGOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15-3-4-17(9-16(15)2)12-27-8-7-20-18(13-27)11-24-23(26-20)25-19-5-6-21-22(10-19)29-14-28-21/h3-6,9-11H,7-8,12-14H2,1-2H3,(H,24,25,26).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
N-(1,3-benzodioxol-5-yl)-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 388.47 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 20960565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).