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

C18H19ClN4 — CID 10808680

IUPAC6-(2-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3Cl)cc2n1
InChIInChI=1S/C18H19ClN4/c1-12-20-16-11-15(13-7-3-4-8-14(13)19)22-17(16)18(21-12)23-9-5-2-6-10-23/h3-4,7-8,11,22H,2,5-6,9-10H2,1H3
InChIKeyLYFPCBGOYOGNDN-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.58
Rot. Bonds2

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

6-(2-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 10808680) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID10808680
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC Name6-(2-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3Cl)cc2n1
InChIInChI=1S/C18H19ClN4/c1-12-20-16-11-15(13-7-3-4-8-14(13)19)22-17(16)18(21-12)23-9-5-2-6-10-23/h3-4,7-8,11,22H,2,5-6,9-10H2,1H3
InChIKeyLYFPCBGOYOGNDN-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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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 6-(2-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (CID 10808680) is 6-(2-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 6-(2-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 6-(2-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3Cl)cc2n1.
What is the InChIKey of 6-(2-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is LYFPCBGOYOGNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4/c1-12-20-16-11-15(13-7-3-4-8-14(13)19)22-17(16)18(21-12)23-9-5-2-6-10-23/h3-4,7-8,11,22H,2,5-6,9-10H2,1H3.
What are the key properties of 6-(2-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
6-(2-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-(2-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 10808680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).