6-butoxy-3-hydroxy-2-methylpyrimidin-4-imine

C9H15N3O2 — CID 15734631

IUPAC6-butoxy-3-hydroxy-2-methylpyrimidin-4-imine
SMILES[H]/N=c1\cc(OCCCC)nc(C)n1O
InChIInChI=1S/C9H15N3O2/c1-3-4-5-14-9-6-8(10)12(13)7(2)11-9/h6,10,13H,3-5H2,1-2H3/b10-8+
InChIKeyAUHOUZYZMGTTIX-CSKARUKUSA-N
MW197.24 g/mol
LogP1.09
Rot. Bonds4

About 6-butoxy-3-hydroxy-2-methylpyrimidin-4-imine

6-butoxy-3-hydroxy-2-methylpyrimidin-4-imine (PubChem CID 15734631) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 6-butoxy-3-hydroxy-2-methylpyrimidin-4-imine.

Molecular Properties

Compound Name6-butoxy-3-hydroxy-2-methylpyrimidin-4-imine
PubChem CID15734631
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name6-butoxy-3-hydroxy-2-methylpyrimidin-4-imine
SMILES[H]/N=c1\cc(OCCCC)nc(C)n1O
InChIInChI=1S/C9H15N3O2/c1-3-4-5-14-9-6-8(10)12(13)7(2)11-9/h6,10,13H,3-5H2,1-2H3/b10-8+
InChIKeyAUHOUZYZMGTTIX-CSKARUKUSA-N
XLogP1.09
TPSA71.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-butoxy-3-hydroxy-2-methylpyrimidin-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

Related Compounds

6-(2,4-dichlorophenoxy)-3-hydroxy-2-methylpyrimidin-4-imine
CID 154088620
4-butoxy-1-hydroxy-6-imino-1,3,5-triazin-2-amine
CID 22501480
4-butoxy-6-butylimino-1-hydroxypyrimidin-2-amine
CID 18421241
2-butoxy-6-chloropyridine-4-carbonyl chloride
CID 21275763
2-methyl-6-pentoxypyridine-4-carboximidamide
CID 114769287
4-butoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine
CID 18766004
6-heptoxy-2-methyl-N-propylpyrimidin-4-amine
CID 80862052
4-chloro-6-hexyl-1-hydroxypyridin-2-imine
CID 22764365
2,6-dibutoxypyridine
CID 67437244
1,3,5-tributoxybenzene
CID 15933337
6-butoxy-4-N-dodecylpyrimidine-2,4-diamine
CID 91022427
6-butoxy-4-chloropyridin-2-amine
CID 58278129

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-3-hydroxy-2-methylpyrimidin-4-imine?
The IUPAC name of 6-butoxy-3-hydroxy-2-methylpyrimidin-4-imine (CID 15734631) is 6-butoxy-3-hydroxy-2-methylpyrimidin-4-imine.
What is the SMILES notation for 6-butoxy-3-hydroxy-2-methylpyrimidin-4-imine?
The canonical SMILES for 6-butoxy-3-hydroxy-2-methylpyrimidin-4-imine is [H]/N=c1\cc(OCCCC)nc(C)n1O.
What is the InChIKey of 6-butoxy-3-hydroxy-2-methylpyrimidin-4-imine?
The InChIKey is AUHOUZYZMGTTIX-CSKARUKUSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-4-5-14-9-6-8(10)12(13)7(2)11-9/h6,10,13H,3-5H2,1-2H3/b10-8+.
What are the key properties of 6-butoxy-3-hydroxy-2-methylpyrimidin-4-imine?
6-butoxy-3-hydroxy-2-methylpyrimidin-4-imine has a molecular weight of 197.24 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-3-hydroxy-2-methylpyrimidin-4-imine is sourced from PubChem (CID 15734631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).