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

C19H22N4O — CID 10642181

IUPAC6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCOc1ccc(-c2cc3nc(C)nc(N4CCCCC4)c3[nH]2)cc1
InChIInChI=1S/C19H22N4O/c1-13-20-17-12-16(14-6-8-15(24-2)9-7-14)22-18(17)19(21-13)23-10-4-3-5-11-23/h6-9,12,22H,3-5,10-11H2,1-2H3
InChIKeyZZVYGZVZVAGTEO-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.93
Rot. Bonds3

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

6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 10642181) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID10642181
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCOc1ccc(-c2cc3nc(C)nc(N4CCCCC4)c3[nH]2)cc1
InChIInChI=1S/C19H22N4O/c1-13-20-17-12-16(14-6-8-15(24-2)9-7-14)22-18(17)19(21-13)23-10-4-3-5-11-23/h6-9,12,22H,3-5,10-11H2,1-2H3
InChIKeyZZVYGZVZVAGTEO-UHFFFAOYSA-N
XLogP3.93
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Astemizole
CID 2247
Bisbenzimide
CID 1464
Metodesnitazene
CID 26412
2-(4-methoxyphenyl)-1H-1,3-benzodiazole
CID 345686
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
5-(4-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44556112
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
RP107
CID 448912
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
9-butyl-8-(4-methoxybenzyl)-9H-purin-6-amine
CID 5289227
Pyrimido(1,2-a)benzimidazole, 1,4-dihydro-4-(4-methoxyphenyl)-2-methyl-
CID 3074967
N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (CID 10642181) is 6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is COc1ccc(-c2cc3nc(C)nc(N4CCCCC4)c3[nH]2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is ZZVYGZVZVAGTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-20-17-12-16(14-6-8-15(24-2)9-7-14)22-18(17)19(21-13)23-10-4-3-5-11-23/h6-9,12,22H,3-5,10-11H2,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 322.41 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 10642181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).