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

C16H18N4S — CID 10664487

IUPAC2-methyl-4-piperidin-1-yl-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(N2CCCCC2)c2[nH]c(-c3cccs3)cc2n1
InChIInChI=1S/C16H18N4S/c1-11-17-13-10-12(14-6-5-9-21-14)19-15(13)16(18-11)20-7-3-2-4-8-20/h5-6,9-10,19H,2-4,7-8H2,1H3
InChIKeyOHXCLJJSWVYGBV-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.99
Rot. Bonds2

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

2-methyl-4-piperidin-1-yl-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 10664487) has the molecular formula C16H18N4S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-methyl-4-piperidin-1-yl-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-piperidin-1-yl-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID10664487
Molecular FormulaC16H18N4S
Molecular Weight298.41 g/mol
Exact Mass298.13
IUPAC Name2-methyl-4-piperidin-1-yl-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(N2CCCCC2)c2[nH]c(-c3cccs3)cc2n1
InChIInChI=1S/C16H18N4S/c1-11-17-13-10-12(14-6-5-9-21-14)19-15(13)16(18-11)20-7-3-2-4-8-20/h5-6,9-10,19H,2-4,7-8H2,1H3
InChIKeyOHXCLJJSWVYGBV-UHFFFAOYSA-N
XLogP3.99
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-piperidin-1-yl-6-thiophen-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-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-methyl-4-piperidin-1-yl-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine (CID 10664487) is 2-methyl-4-piperidin-1-yl-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-piperidin-1-yl-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-methyl-4-piperidin-1-yl-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine is Cc1nc(N2CCCCC2)c2[nH]c(-c3cccs3)cc2n1.
What is the InChIKey of 2-methyl-4-piperidin-1-yl-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is OHXCLJJSWVYGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-11-17-13-10-12(14-6-5-9-21-14)19-15(13)16(18-11)20-7-3-2-4-8-20/h5-6,9-10,19H,2-4,7-8H2,1H3.
What are the key properties of 2-methyl-4-piperidin-1-yl-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine?
2-methyl-4-piperidin-1-yl-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 298.41 g/mol, XLogP of 3.99, 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-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 10664487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).