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

C19H23ClN4O — CID 10642180

IUPAC6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride
SMILESCOc1ccc(C2=Cc3nc(C)nc(N4CCCCC4)c3[NH2+]2)cc1.[Cl-]
InChIInChI=1S/C19H22N4O.ClH/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;1H
InChIKeyGXDINHJTNYCFQE-UHFFFAOYSA-N
MW358.87 g/mol
LogP-0.51
Rot. Bonds3

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

6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride (PubChem CID 10642180) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride
PubChem CID10642180
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride
SMILESCOc1ccc(C2=Cc3nc(C)nc(N4CCCCC4)c3[NH2+]2)cc1.[Cl-]
InChIInChI=1S/C19H22N4O.ClH/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;1H
InChIKeyGXDINHJTNYCFQE-UHFFFAOYSA-N
XLogP-0.51
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,5-difluorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride
CID 11793186
2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride
CID 10589935
1-(4-methoxyphenyl)piperidine
CID 10130315
7-[(4-methoxyphenyl)methyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10690707
6-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10810223
ethane;ethene;1-(4-methoxyphenyl)piperidine
CID 144518047
1-(4-methoxyphenyl)azepan-2-one
CID 66742326
2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3,4-oxadiazole
CID 135040543
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline
CID 731359
2-(4-methoxyphenyl)-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-2-ol
CID 167898305
4-(azepan-1-yl)-2-methylquinazoline chloride
CID 53351740
4-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 133460365

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride?
The IUPAC name of 6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride (CID 10642180) is 6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride?
The canonical SMILES for 6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride is COc1ccc(C2=Cc3nc(C)nc(N4CCCCC4)c3[NH2+]2)cc1.[Cl-].
What is the InChIKey of 6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride?
The InChIKey is GXDINHJTNYCFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O.ClH/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;1H.
What are the key properties of 6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride?
6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride has a molecular weight of 358.87 g/mol, XLogP of -0.51, 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]pyrimidin-5-ium chloride is sourced from PubChem (CID 10642180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).