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

C24H46N4O2 — CID 18766004

IUPAC4-butoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine
SMILESCCCCCCCCCCCCCCCC/N=c1\cc(OCCCC)nc(N)n1O
InChIInChI=1S/C24H46N4O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-26-22-21-23(30-20-6-4-2)27-24(25)28(22)29/h21,29H,3-20H2,1-2H3,(H2,25,27)/b26-22+
InChIKeyOOHRAYBPVDSBFE-XTCLZLMSSA-N
MW422.66 g/mol
LogP6.26
Rot. Bonds19

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

4-butoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine (PubChem CID 18766004) has the molecular formula C24H46N4O2 and a molecular weight of 422.66 g/mol. Its IUPAC name is 4-butoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine.

Molecular Properties

Compound Name4-butoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine
PubChem CID18766004
Molecular FormulaC24H46N4O2
Molecular Weight422.66 g/mol
Exact Mass422.36
IUPAC Name4-butoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine
SMILESCCCCCCCCCCCCCCCC/N=c1\cc(OCCCC)nc(N)n1O
InChIInChI=1S/C24H46N4O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-26-22-21-23(30-20-6-4-2)27-24(25)28(22)29/h21,29H,3-20H2,1-2H3,(H2,25,27)/b26-22+
InChIKeyOOHRAYBPVDSBFE-XTCLZLMSSA-N
XLogP6.26
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.66
LogP ≤ 56.26
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-butylimino-1-hydroxypyrimidin-2-amine
CID 18421241
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
4-chloro-N-hexyl-1-hydroxy-6-methylpyridin-2-imine
CID 22764253
6-butoxy-4-N-dodecylpyrimidine-2,4-diamine
CID 91022427
4-heptoxy-6-hydrazinylpyrimidin-2-amine
CID 80909546
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
6-hexoxy-2-propylpyrimidin-4-amine
CID 80949907

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine?
The IUPAC name of 4-butoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine (CID 18766004) is 4-butoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine.
What is the SMILES notation for 4-butoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine?
The canonical SMILES for 4-butoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine is CCCCCCCCCCCCCCCC/N=c1\cc(OCCCC)nc(N)n1O.
What is the InChIKey of 4-butoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine?
The InChIKey is OOHRAYBPVDSBFE-XTCLZLMSSA-N. The full InChI is InChI=1S/C24H46N4O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-26-22-21-23(30-20-6-4-2)27-24(25)28(22)29/h21,29H,3-20H2,1-2H3,(H2,25,27)/b26-22+.
What are the key properties of 4-butoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine?
4-butoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine has a molecular weight of 422.66 g/mol, XLogP of 6.26, 19 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine is sourced from PubChem (CID 18766004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).