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

C20H26N4O2 — CID 110241610

IUPAC6-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(CN2CCc3nc(C4CCNC4)ncc3C2)cc1OC
InChIInChI=1S/C20H26N4O2/c1-25-18-4-3-14(9-19(18)26-2)12-24-8-6-17-16(13-24)11-22-20(23-17)15-5-7-21-10-15/h3-4,9,11,15,21H,5-8,10,12-13H2,1-2H3
InChIKeyRYZOMYQCBNQRLY-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.13
Rot. Bonds5

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

6-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 110241610) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID110241610
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name6-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(CN2CCc3nc(C4CCNC4)ncc3C2)cc1OC
InChIInChI=1S/C20H26N4O2/c1-25-18-4-3-14(9-19(18)26-2)12-24-8-6-17-16(13-24)11-22-20(23-17)15-5-7-21-10-15/h3-4,9,11,15,21H,5-8,10,12-13H2,1-2H3
InChIKeyRYZOMYQCBNQRLY-UHFFFAOYSA-N
XLogP2.13
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-[(2,4-dimethoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92594886
6-[(3-fluorophenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92568663
2-(3,4-dimethoxyphenyl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92597870
2-tert-butyl-6-[(3,4-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930080
2-cyclopropyl-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930113
6-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930089
6-[[6-(5-chloro-2-methoxyphenyl)-3-pyridinyl]methyl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914360
3-(2-methoxyphenyl)-1-[2-[(3S)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92601648
2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 1377255
6-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960315
6-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46346087
2-(3,4-dimethoxyphenyl)-1-[2-(1-methylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110245912

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 110241610) is 6-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ccc(CN2CCc3nc(C4CCNC4)ncc3C2)cc1OC.
What is the InChIKey of 6-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is RYZOMYQCBNQRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-25-18-4-3-14(9-19(18)26-2)12-24-8-6-17-16(13-24)11-22-20(23-17)15-5-7-21-10-15/h3-4,9,11,15,21H,5-8,10,12-13H2,1-2H3.
What are the key properties of 6-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 354.45 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 110241610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).