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

C22H42N4O2 — CID 18766002

IUPAC4-ethoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine
SMILESCCCCCCCCCCCCCCCC/N=c1\cc(OCC)nc(N)n1O
InChIInChI=1S/C22H42N4O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-19-21(28-4-2)25-22(23)26(20)27/h19,27H,3-18H2,1-2H3,(H2,23,25)/b24-20+
InChIKeyFOAJKGNDGBPYKB-HIXSDJFHSA-N
MW394.60 g/mol
LogP5.48
Rot. Bonds17

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

4-ethoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine (PubChem CID 18766002) has the molecular formula C22H42N4O2 and a molecular weight of 394.60 g/mol. Its IUPAC name is 4-ethoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine
PubChem CID18766002
Molecular FormulaC22H42N4O2
Molecular Weight394.60 g/mol
Exact Mass394.33
IUPAC Name4-ethoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine
SMILESCCCCCCCCCCCCCCCC/N=c1\cc(OCC)nc(N)n1O
InChIInChI=1S/C22H42N4O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-19-21(28-4-2)25-22(23)26(20)27/h19,27H,3-18H2,1-2H3,(H2,23,25)/b24-20+
InChIKeyFOAJKGNDGBPYKB-HIXSDJFHSA-N
XLogP5.48
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 55.48
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'}

Analyze 4-ethoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine 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

4-butoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine
CID 18766004
1-hydroxy-4-methoxy-6-tridecyliminopyrimidin-2-amine
CID 18765981
4-butoxy-6-butylimino-1-hydroxypyrimidin-2-amine
CID 18421241
1-hydroxy-6-octadecyliminopyrimidin-2-amine
CID 18765979
6-heptadecylimino-1-hydroxypyrimidin-2-amine
CID 18766018
4-chloro-N-hexyl-1-hydroxy-6-methylpyridin-2-imine
CID 22764253
6-ethoxy-4-N-pentylpyrimidine-2,4-diamine
CID 91405018
3-hydroxy-6-propylimino-1,3,5-triazine-2,4-diamine
CID 23368067
4-heptoxy-6-hydrazinylpyrimidin-2-amine
CID 80909546
6-butoxy-4-N-dodecylpyrimidine-2,4-diamine
CID 91022427
6-octadecylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine
CID 135939020
N-(4,6-diethoxypyrimidin-2-yl)octadec-9-enamide
CID 54375083

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine?
The IUPAC name of 4-ethoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine (CID 18766002) is 4-ethoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine is CCCCCCCCCCCCCCCC/N=c1\cc(OCC)nc(N)n1O.
What is the InChIKey of 4-ethoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine?
The InChIKey is FOAJKGNDGBPYKB-HIXSDJFHSA-N. The full InChI is InChI=1S/C22H42N4O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-19-21(28-4-2)25-22(23)26(20)27/h19,27H,3-18H2,1-2H3,(H2,23,25)/b24-20+.
What are the key properties of 4-ethoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine?
4-ethoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine has a molecular weight of 394.60 g/mol, XLogP of 5.48, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine is sourced from PubChem (CID 18766002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).