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

C18H19ClN4 — CID 10618696

IUPAC6-(4-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(N2CCCCC2)c2[nH]c(-c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C18H19ClN4/c1-12-20-16-11-15(13-5-7-14(19)8-6-13)22-17(16)18(21-12)23-9-3-2-4-10-23/h5-8,11,22H,2-4,9-10H2,1H3
InChIKeyMJKQJDLIJYSONA-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.58
Rot. Bonds2

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

6-(4-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 10618696) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID10618696
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC Name6-(4-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(N2CCCCC2)c2[nH]c(-c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C18H19ClN4/c1-12-20-16-11-15(13-5-7-14(19)8-6-13)22-17(16)18(21-12)23-9-3-2-4-10-23/h5-8,11,22H,2-4,9-10H2,1H3
InChIKeyMJKQJDLIJYSONA-UHFFFAOYSA-N
XLogP4.58
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Laduviglusib
CID 9956119
6-chloro-7-(4-(4-chlorobenzyl)piperazin-1-yl)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo(4,5-b)pyridine
CID 71454279
4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-amine
CID 17751819
2-((4-Chlorophenyl)methyl)-1H-benzimidazole
CID 225500
8-isopropyl-2,6-diphenyl-9H-purine
CID 11536936
5,7-diphenyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine
CID 16109428
2,6-Diphenyl-8-(1-ethylpropyl)-1-deazapurine
CID 16109429
9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-6-(piperidin-1-yl)-9H-purine
CID 25190877
2-(2-methylpropyl)-5,7-diphenyl-1H-imidazo[4,5-b]pyridine
CID 44418996
1-(4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methanamine
CID 11696113
6-(4-(4-(4-chlorophenyl)piperidin-4-yl)phenyl)-9H-purine
CID 16122633
1-(4-(4-chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methanamine
CID 24762195

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 6-(4-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (CID 10618696) is 6-(4-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 6-(4-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 6-(4-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is Cc1nc(N2CCCCC2)c2[nH]c(-c3ccc(Cl)cc3)cc2n1.
What is the InChIKey of 6-(4-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is MJKQJDLIJYSONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4/c1-12-20-16-11-15(13-5-7-14(19)8-6-13)22-17(16)18(21-12)23-9-3-2-4-10-23/h5-8,11,22H,2-4,9-10H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
6-(4-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 326.83 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 10618696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).