2-piperidin-1-ylpyrimidine-4,6-diamine

C9H15N5 — CID 16653160

IUPAC2-piperidin-1-ylpyrimidine-4,6-diamine
SMILESNc1cc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C9H15N5/c10-7-6-8(11)13-9(12-7)14-4-2-1-3-5-14/h6H,1-5H2,(H4,10,11,12,13)
InChIKeyVMRLTXDXQQGXMR-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.63
Rot. Bonds1

About 2-piperidin-1-ylpyrimidine-4,6-diamine

2-piperidin-1-ylpyrimidine-4,6-diamine (PubChem CID 16653160) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-piperidin-1-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-piperidin-1-ylpyrimidine-4,6-diamine
PubChem CID16653160
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name2-piperidin-1-ylpyrimidine-4,6-diamine
SMILESNc1cc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C9H15N5/c10-7-6-8(11)13-9(12-7)14-4-2-1-3-5-14/h6H,1-5H2,(H4,10,11,12,13)
InChIKeyVMRLTXDXQQGXMR-UHFFFAOYSA-N
XLogP0.63
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-piperidin-1-ylpyrimidine-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-piperidin-1-ylpyrimidine-4,6-diamine?
The IUPAC name of 2-piperidin-1-ylpyrimidine-4,6-diamine (CID 16653160) is 2-piperidin-1-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-piperidin-1-ylpyrimidine-4,6-diamine?
The canonical SMILES for 2-piperidin-1-ylpyrimidine-4,6-diamine is Nc1cc(N)nc(N2CCCCC2)n1.
What is the InChIKey of 2-piperidin-1-ylpyrimidine-4,6-diamine?
The InChIKey is VMRLTXDXQQGXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c10-7-6-8(11)13-9(12-7)14-4-2-1-3-5-14/h6H,1-5H2,(H4,10,11,12,13).
What are the key properties of 2-piperidin-1-ylpyrimidine-4,6-diamine?
2-piperidin-1-ylpyrimidine-4,6-diamine has a molecular weight of 193.25 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 16653160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).