2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methylpyridine-4-carboximidamide

C12H20N4O — CID 114769147

IUPAC2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(C)C(C)(C)CO)c1
InChIInChI=1S/C12H20N4O/c1-8-5-9(11(13)14)6-10(15-8)16(4)12(2,3)7-17/h5-6,17H,7H2,1-4H3,(H3,13,14)
InChIKeyTXOFPVWOPDZGEK-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.88
Rot. Bonds4

About 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methylpyridine-4-carboximidamide

2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methylpyridine-4-carboximidamide (PubChem CID 114769147) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methylpyridine-4-carboximidamide
PubChem CID114769147
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(C)C(C)(C)CO)c1
InChIInChI=1S/C12H20N4O/c1-8-5-9(11(13)14)6-10(15-8)16(4)12(2,3)7-17/h5-6,17H,7H2,1-4H3,(H3,13,14)
InChIKeyTXOFPVWOPDZGEK-UHFFFAOYSA-N
XLogP0.88
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methylpyridine-4-carboximidamide 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-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methylpyridine-4-carboximidamide?
The IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methylpyridine-4-carboximidamide (CID 114769147) is 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methylpyridine-4-carboximidamide?
The canonical SMILES for 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methylpyridine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(N(C)C(C)(C)CO)c1.
What is the InChIKey of 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methylpyridine-4-carboximidamide?
The InChIKey is TXOFPVWOPDZGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-5-9(11(13)14)6-10(15-8)16(4)12(2,3)7-17/h5-6,17H,7H2,1-4H3,(H3,13,14).
What are the key properties of 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methylpyridine-4-carboximidamide?
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methylpyridine-4-carboximidamide has a molecular weight of 236.32 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 114769147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).