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

C20H26N4O2 — CID 92594886

IUPAC6-[(2,4-dimethoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(CN2CCc3nc([C@@H]4CCNC4)ncc3C2)c(OC)c1
InChIInChI=1S/C20H26N4O2/c1-25-17-4-3-15(19(9-17)26-2)12-24-8-6-18-16(13-24)11-22-20(23-18)14-5-7-21-10-14/h3-4,9,11,14,21H,5-8,10,12-13H2,1-2H3/t14-/m1/s1
InChIKeyMDNBLJCLVOHJDL-CQSZACIVSA-N
MW354.45 g/mol
LogP2.13
Rot. Bonds5

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

6-[(2,4-dimethoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 92594886) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-[(2,4-dimethoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(2,4-dimethoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID92594886
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name6-[(2,4-dimethoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(CN2CCc3nc([C@@H]4CCNC4)ncc3C2)c(OC)c1
InChIInChI=1S/C20H26N4O2/c1-25-17-4-3-15(19(9-17)26-2)12-24-8-6-18-16(13-24)11-22-20(23-18)14-5-7-21-10-14/h3-4,9,11,14,21H,5-8,10,12-13H2,1-2H3/t14-/m1/s1
InChIKeyMDNBLJCLVOHJDL-CQSZACIVSA-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

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Related Compounds

6-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 110241610
2-[(3R)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92608958
2-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenol
CID 24929714
6-[(2,4-dimethoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928651
2-cyclohexyl-6-[(2-fluoro-5-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929528
2-(2,5-dimethoxyphenyl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92594562
6-[(3-fluorophenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92568663
6-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960913
2-cyclohexyl-6-[(5-methoxy-1-methylindol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911549
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
6-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960863
6-[(2,4-dimethoxyphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960934

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dimethoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(2,4-dimethoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 92594886) is 6-[(2,4-dimethoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(2,4-dimethoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(2,4-dimethoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ccc(CN2CCc3nc([C@@H]4CCNC4)ncc3C2)c(OC)c1.
What is the InChIKey of 6-[(2,4-dimethoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is MDNBLJCLVOHJDL-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-25-17-4-3-15(19(9-17)26-2)12-24-8-6-18-16(13-24)11-22-20(23-18)14-5-7-21-10-14/h3-4,9,11,14,21H,5-8,10,12-13H2,1-2H3/t14-/m1/s1.
What are the key properties of 6-[(2,4-dimethoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(2,4-dimethoxyphenyl)methyl]-2-[(3R)-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-[(2,4-dimethoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 92594886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).