2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine

C11H19N5S — CID 649133

IUPAC2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCCN2CCCCC2)n1
InChIInChI=1S/C11H19N5S/c12-9-8-10(13)15-11(14-9)17-7-6-16-4-2-1-3-5-16/h8H,1-7H2,(H4,12,13,14,15)
InChIKeyCUCWGVZDHRZRRP-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.22
Rot. Bonds4

About 2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine

2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine (PubChem CID 649133) has the molecular formula C11H19N5S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine
PubChem CID649133
Molecular FormulaC11H19N5S
Molecular Weight253.37 g/mol
Exact Mass253.14
IUPAC Name2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCCN2CCCCC2)n1
InChIInChI=1S/C11H19N5S/c12-9-8-10(13)15-11(14-9)17-7-6-16-4-2-1-3-5-16/h8H,1-7H2,(H4,12,13,14,15)
InChIKeyCUCWGVZDHRZRRP-UHFFFAOYSA-N
XLogP1.22
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine 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-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine (CID 649133) is 2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine is Nc1cc(N)nc(SCCN2CCCCC2)n1.
What is the InChIKey of 2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine?
The InChIKey is CUCWGVZDHRZRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5S/c12-9-8-10(13)15-11(14-9)17-7-6-16-4-2-1-3-5-16/h8H,1-7H2,(H4,12,13,14,15).
What are the key properties of 2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine?
2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine has a molecular weight of 253.37 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 649133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).