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

C17H19N5 — CID 10830247

IUPAC2-methyl-4-piperidin-1-yl-6-pyridin-2-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(N2CCCCC2)c2[nH]c(-c3ccccn3)cc2n1
InChIInChI=1S/C17H19N5/c1-12-19-15-11-14(13-7-3-4-8-18-13)21-16(15)17(20-12)22-9-5-2-6-10-22/h3-4,7-8,11,21H,2,5-6,9-10H2,1H3
InChIKeyFXTBLHFIKWFGTN-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.32
Rot. Bonds2

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

2-methyl-4-piperidin-1-yl-6-pyridin-2-yl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 10830247) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-methyl-4-piperidin-1-yl-6-pyridin-2-yl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-piperidin-1-yl-6-pyridin-2-yl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID10830247
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name2-methyl-4-piperidin-1-yl-6-pyridin-2-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(N2CCCCC2)c2[nH]c(-c3ccccn3)cc2n1
InChIInChI=1S/C17H19N5/c1-12-19-15-11-14(13-7-3-4-8-18-13)21-16(15)17(20-12)22-9-5-2-6-10-22/h3-4,7-8,11,21H,2,5-6,9-10H2,1H3
InChIKeyFXTBLHFIKWFGTN-UHFFFAOYSA-N
XLogP3.32
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperidin-1-yl-6-pyridin-2-yl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-methyl-4-piperidin-1-yl-6-pyridin-2-yl-5H-pyrrolo[3,2-d]pyrimidine (CID 10830247) is 2-methyl-4-piperidin-1-yl-6-pyridin-2-yl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-piperidin-1-yl-6-pyridin-2-yl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-methyl-4-piperidin-1-yl-6-pyridin-2-yl-5H-pyrrolo[3,2-d]pyrimidine is Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccn3)cc2n1.
What is the InChIKey of 2-methyl-4-piperidin-1-yl-6-pyridin-2-yl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is FXTBLHFIKWFGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-12-19-15-11-14(13-7-3-4-8-18-13)21-16(15)17(20-12)22-9-5-2-6-10-22/h3-4,7-8,11,21H,2,5-6,9-10H2,1H3.
What are the key properties of 2-methyl-4-piperidin-1-yl-6-pyridin-2-yl-5H-pyrrolo[3,2-d]pyrimidine?
2-methyl-4-piperidin-1-yl-6-pyridin-2-yl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 293.37 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperidin-1-yl-6-pyridin-2-yl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 10830247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).