4-butoxy-6-butylimino-1-hydroxypyrimidin-2-amine

C12H22N4O2 — CID 18421241

IUPAC4-butoxy-6-butylimino-1-hydroxypyrimidin-2-amine
SMILESCCCC/N=c1\cc(OCCCC)nc(N)n1O
InChIInChI=1S/C12H22N4O2/c1-3-5-7-14-10-9-11(18-8-6-4-2)15-12(13)16(10)17/h9,17H,3-8H2,1-2H3,(H2,13,15)/b14-10+
InChIKeyRBKLKNPYLRGQJU-GXDHUFHOSA-N
MW254.33 g/mol
LogP1.58
Rot. Bonds7

About 4-butoxy-6-butylimino-1-hydroxypyrimidin-2-amine

4-butoxy-6-butylimino-1-hydroxypyrimidin-2-amine (PubChem CID 18421241) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-butoxy-6-butylimino-1-hydroxypyrimidin-2-amine.

Molecular Properties

Compound Name4-butoxy-6-butylimino-1-hydroxypyrimidin-2-amine
PubChem CID18421241
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-butoxy-6-butylimino-1-hydroxypyrimidin-2-amine
SMILESCCCC/N=c1\cc(OCCCC)nc(N)n1O
InChIInChI=1S/C12H22N4O2/c1-3-5-7-14-10-9-11(18-8-6-4-2)15-12(13)16(10)17/h9,17H,3-8H2,1-2H3,(H2,13,15)/b14-10+
InChIKeyRBKLKNPYLRGQJU-GXDHUFHOSA-N
XLogP1.58
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine
CID 18766004
4-ethoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine
CID 18766002
1-hydroxy-4-methoxy-6-tridecyliminopyrimidin-2-amine
CID 18765981
6-heptadecylimino-1-hydroxypyrimidin-2-amine
CID 18766018
1-hydroxy-6-octadecyliminopyrimidin-2-amine
CID 18765979
6-butoxy-3-hydroxy-2-methylpyrimidin-4-imine
CID 15734631
4-butoxy-1-hydroxy-6-imino-1,3,5-triazin-2-amine
CID 22501480
6-butoxy-4-chloropyridin-2-amine
CID 58278129
3-hydroxy-6-propylimino-1,3,5-triazine-2,4-diamine
CID 23368067
4-butoxy-6-(chloromethyl)pyrimidin-2-amine
CID 54521493
6-butoxy-4-N-dodecylpyrimidine-2,4-diamine
CID 91022427
4-heptoxy-6-hydrazinylpyrimidin-2-amine
CID 80909546

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-6-butylimino-1-hydroxypyrimidin-2-amine?
The IUPAC name of 4-butoxy-6-butylimino-1-hydroxypyrimidin-2-amine (CID 18421241) is 4-butoxy-6-butylimino-1-hydroxypyrimidin-2-amine.
What is the SMILES notation for 4-butoxy-6-butylimino-1-hydroxypyrimidin-2-amine?
The canonical SMILES for 4-butoxy-6-butylimino-1-hydroxypyrimidin-2-amine is CCCC/N=c1\cc(OCCCC)nc(N)n1O.
What is the InChIKey of 4-butoxy-6-butylimino-1-hydroxypyrimidin-2-amine?
The InChIKey is RBKLKNPYLRGQJU-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-5-7-14-10-9-11(18-8-6-4-2)15-12(13)16(10)17/h9,17H,3-8H2,1-2H3,(H2,13,15)/b14-10+.
What are the key properties of 4-butoxy-6-butylimino-1-hydroxypyrimidin-2-amine?
4-butoxy-6-butylimino-1-hydroxypyrimidin-2-amine has a molecular weight of 254.33 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-6-butylimino-1-hydroxypyrimidin-2-amine is sourced from PubChem (CID 18421241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).