3-hydroxy-2-methyl-6-piperidin-1-ylpyrimidin-4-imine

C10H16N4O — CID 15734618

IUPAC3-hydroxy-2-methyl-6-piperidin-1-ylpyrimidin-4-imine
SMILES[H]/N=c1\cc(N2CCCCC2)nc(C)n1O
InChIInChI=1S/C10H16N4O/c1-8-12-10(7-9(11)14(8)15)13-5-3-2-4-6-13/h7,11,15H,2-6H2,1H3/b11-9+
InChIKeyPEZWRGNDHYNIHW-PKNBQFBNSA-N
MW208.26 g/mol
LogP0.90
Rot. Bonds1

About 3-hydroxy-2-methyl-6-piperidin-1-ylpyrimidin-4-imine

3-hydroxy-2-methyl-6-piperidin-1-ylpyrimidin-4-imine (PubChem CID 15734618) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-6-piperidin-1-ylpyrimidin-4-imine.

Molecular Properties

Compound Name3-hydroxy-2-methyl-6-piperidin-1-ylpyrimidin-4-imine
PubChem CID15734618
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-hydroxy-2-methyl-6-piperidin-1-ylpyrimidin-4-imine
SMILES[H]/N=c1\cc(N2CCCCC2)nc(C)n1O
InChIInChI=1S/C10H16N4O/c1-8-12-10(7-9(11)14(8)15)13-5-3-2-4-6-13/h7,11,15H,2-6H2,1H3/b11-9+
InChIKeyPEZWRGNDHYNIHW-PKNBQFBNSA-N
XLogP0.90
TPSA65.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 3-hydroxy-2-methyl-6-piperidin-1-ylpyrimidin-4-imine 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 3-hydroxy-2-methyl-6-piperidin-1-ylpyrimidin-4-imine?
The IUPAC name of 3-hydroxy-2-methyl-6-piperidin-1-ylpyrimidin-4-imine (CID 15734618) is 3-hydroxy-2-methyl-6-piperidin-1-ylpyrimidin-4-imine.
What is the SMILES notation for 3-hydroxy-2-methyl-6-piperidin-1-ylpyrimidin-4-imine?
The canonical SMILES for 3-hydroxy-2-methyl-6-piperidin-1-ylpyrimidin-4-imine is [H]/N=c1\cc(N2CCCCC2)nc(C)n1O.
What is the InChIKey of 3-hydroxy-2-methyl-6-piperidin-1-ylpyrimidin-4-imine?
The InChIKey is PEZWRGNDHYNIHW-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H16N4O/c1-8-12-10(7-9(11)14(8)15)13-5-3-2-4-6-13/h7,11,15H,2-6H2,1H3/b11-9+.
What are the key properties of 3-hydroxy-2-methyl-6-piperidin-1-ylpyrimidin-4-imine?
3-hydroxy-2-methyl-6-piperidin-1-ylpyrimidin-4-imine has a molecular weight of 208.26 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-6-piperidin-1-ylpyrimidin-4-imine is sourced from PubChem (CID 15734618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).