3-hydroxy-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-imine

C10H17N5O — CID 15734622

IUPAC3-hydroxy-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-imine
SMILES[H]/N=c1\cc(N2CCN(C)CC2)nc(C)n1O
InChIInChI=1S/C10H17N5O/c1-8-12-10(7-9(11)15(8)16)14-5-3-13(2)4-6-14/h7,11,16H,3-6H2,1-2H3/b11-9+
InChIKeyNQRGBUBYJAUAER-PKNBQFBNSA-N
MW223.28 g/mol
LogP-0.34
Rot. Bonds1

About 3-hydroxy-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-imine

3-hydroxy-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-imine (PubChem CID 15734622) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-imine.

Molecular Properties

Compound Name3-hydroxy-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-imine
PubChem CID15734622
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name3-hydroxy-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-imine
SMILES[H]/N=c1\cc(N2CCN(C)CC2)nc(C)n1O
InChIInChI=1S/C10H17N5O/c1-8-12-10(7-9(11)15(8)16)14-5-3-13(2)4-6-14/h7,11,16H,3-6H2,1-2H3/b11-9+
InChIKeyNQRGBUBYJAUAER-PKNBQFBNSA-N
XLogP-0.34
TPSA68.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-hydroxy-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-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-(4-methylpiperazin-1-yl)pyrimidin-4-imine?
The IUPAC name of 3-hydroxy-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-imine (CID 15734622) is 3-hydroxy-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-imine.
What is the SMILES notation for 3-hydroxy-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-imine?
The canonical SMILES for 3-hydroxy-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-imine is [H]/N=c1\cc(N2CCN(C)CC2)nc(C)n1O.
What is the InChIKey of 3-hydroxy-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-imine?
The InChIKey is NQRGBUBYJAUAER-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H17N5O/c1-8-12-10(7-9(11)15(8)16)14-5-3-13(2)4-6-14/h7,11,16H,3-6H2,1-2H3/b11-9+.
What are the key properties of 3-hydroxy-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-imine?
3-hydroxy-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-imine has a molecular weight of 223.28 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-imine is sourced from PubChem (CID 15734622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).