6-(3,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine

C20H24N4O2 — CID 18511243

IUPAC6-(3,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine
SMILESCOc1ccc(-c2cc3nc(C4CCN(C)CC4)ncc3[nH]2)cc1OC
InChIInChI=1S/C20H24N4O2/c1-24-8-6-13(7-9-24)20-21-12-17-16(23-20)11-15(22-17)14-4-5-18(25-2)19(10-14)26-3/h4-5,10-13,22H,6-9H2,1-3H3
InChIKeyAXIXFDRLFBDHQI-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.45
Rot. Bonds4

About 6-(3,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine

6-(3,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 18511243) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID18511243
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name6-(3,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine
SMILESCOc1ccc(-c2cc3nc(C4CCN(C)CC4)ncc3[nH]2)cc1OC
InChIInChI=1S/C20H24N4O2/c1-24-8-6-13(7-9-24)20-21-12-17-16(23-20)11-15(22-17)14-4-5-18(25-2)19(10-14)26-3/h4-5,10-13,22H,6-9H2,1-3H3
InChIKeyAXIXFDRLFBDHQI-UHFFFAOYSA-N
XLogP3.45
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine;hydrate;hydrochloride
CID 18511256
[4-[2-(1-methylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-6-yl]phenyl] 2,2-dimethylpropanoate
CID 18511152
2-(1-methylpiperidin-4-yl)-6-[4-(trifluoromethylsulfanyl)phenyl]-5H-pyrrolo[3,2-d]pyrimidine;hydrate;hydrochloride
CID 18511119
4-[6-(3,4-dimethoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 175045240
2-cyclopropyl-6,7-dimethoxyquinazoline
CID 90237474
2-(1-methylpiperidin-4-yl)-6-(pyrrolidin-1-ylmethyl)quinazoline
CID 174284496
2-(3,4-dimethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole;trihydrochloride
CID 131704506
6-(1-benzofuran-2-yl)-2-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine;hydrate;hydrochloride
CID 18511193
4-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-5-amine
CID 117488480
4-(3-chloro-4-methoxyphenyl)-1-methylpiperidine
CID 156561113
2-(3,4-dimethoxyphenyl)-1-[2-(1-methylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110245912
5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)pyrimidine;dioxoplatinum
CID 161025882

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine (CID 18511243) is 6-(3,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine is COc1ccc(-c2cc3nc(C4CCN(C)CC4)ncc3[nH]2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is AXIXFDRLFBDHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-24-8-6-13(7-9-24)20-21-12-17-16(23-20)11-15(22-17)14-4-5-18(25-2)19(10-14)26-3/h4-5,10-13,22H,6-9H2,1-3H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine?
6-(3,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 352.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 18511243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).