6-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine

C21H26N4O — CID 10810223

IUPAC6-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCOc1ccc(CCc2cc3nc(C)nc(N4CCCCC4)c3[nH]2)cc1
InChIInChI=1S/C21H26N4O/c1-15-22-19-14-17(9-6-16-7-10-18(26-2)11-8-16)24-20(19)21(23-15)25-12-4-3-5-13-25/h7-8,10-11,14,24H,3-6,9,12-13H2,1-2H3
InChIKeyQSJJVSIQQYSOHO-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.05
Rot. Bonds5

About 6-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine

6-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 10810223) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 6-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID10810223
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name6-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCOc1ccc(CCc2cc3nc(C)nc(N4CCCCC4)c3[nH]2)cc1
InChIInChI=1S/C21H26N4O/c1-15-22-19-14-17(9-6-16-7-10-18(26-2)11-8-16)24-20(19)21(23-15)25-12-4-3-5-13-25/h7-8,10-11,14,24H,3-6,9,12-13H2,1-2H3
InChIKeyQSJJVSIQQYSOHO-UHFFFAOYSA-N
XLogP4.05
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine with MolForge

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Related Compounds

2-methyl-6-(2-phenylethyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine;hydrate;hydrochloride
CID 18511203
2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidine
CID 10589936
7-[(4-methoxyphenyl)methyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10690707
6-(furan-2-yl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10519637
[4-(2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl] 2,2-dimethylpropanoate
CID 21129799
6-(3,4-dimethylphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine;hydrochloride
CID 162331783
6-(3,4-dichlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine;hydrochloride
CID 159260871
2-methyl-4-piperidin-1-yl-6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-d]pyrimidine
CID 10786956
6-(2-fluorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine;hydrate;hydrochloride
CID 18511076
1-(4-methoxyphenyl)piperidine
CID 10130315
6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride
CID 10642180
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 6-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (CID 10810223) is 6-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 6-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 6-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is COc1ccc(CCc2cc3nc(C)nc(N4CCCCC4)c3[nH]2)cc1.
What is the InChIKey of 6-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is QSJJVSIQQYSOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-15-22-19-14-17(9-6-16-7-10-18(26-2)11-8-16)24-20(19)21(23-15)25-12-4-3-5-13-25/h7-8,10-11,14,24H,3-6,9,12-13H2,1-2H3.
What are the key properties of 6-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
6-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 350.47 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 10810223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).