1-hydroxy-6-octadecyliminopyrimidin-2-amine

C22H42N4O — CID 18765979

IUPAC1-hydroxy-6-octadecyliminopyrimidin-2-amine
SMILESCCCCCCCCCCCCCCCCCC/N=c1\ccnc(N)n1O
InChIInChI=1S/C22H42N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-18-20-25-22(23)26(21)27/h18,20,27H,2-17,19H2,1H3,(H2,23,25)/b24-21+
InChIKeyCKAIGCUYEBGTAB-DARPEHSRSA-N
MW378.61 g/mol
LogP5.86
Rot. Bonds17

About 1-hydroxy-6-octadecyliminopyrimidin-2-amine

1-hydroxy-6-octadecyliminopyrimidin-2-amine (PubChem CID 18765979) has the molecular formula C22H42N4O and a molecular weight of 378.61 g/mol. Its IUPAC name is 1-hydroxy-6-octadecyliminopyrimidin-2-amine.

Molecular Properties

Compound Name1-hydroxy-6-octadecyliminopyrimidin-2-amine
PubChem CID18765979
Molecular FormulaC22H42N4O
Molecular Weight378.61 g/mol
Exact Mass378.34
IUPAC Name1-hydroxy-6-octadecyliminopyrimidin-2-amine
SMILESCCCCCCCCCCCCCCCCCC/N=c1\ccnc(N)n1O
InChIInChI=1S/C22H42N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-18-20-25-22(23)26(21)27/h18,20,27H,2-17,19H2,1H3,(H2,23,25)/b24-21+
InChIKeyCKAIGCUYEBGTAB-DARPEHSRSA-N
XLogP5.86
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.61
LogP ≤ 55.86
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 1-hydroxy-6-octadecyliminopyrimidin-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

6-heptadecylimino-1-hydroxypyrimidin-2-amine
CID 18766018
3-[(2-amino-3-hydroxypyrimidin-4-ylidene)amino]propan-1-ol
CID 59654221
4-butoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine
CID 18766004
1-hydroxy-4-methoxy-6-tridecyliminopyrimidin-2-amine
CID 18765981
4-ethoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine
CID 18766002
4-butoxy-6-butylimino-1-hydroxypyrimidin-2-amine
CID 18421241
4-chloro-N-hexyl-1-hydroxy-6-methylpyridin-2-imine
CID 22764253
1-methylimidazol-2-amine;N-methyloctan-1-amine;octane
CID 175344210
N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine dichloride
CID 170923435
2-hexylimino-1,3-benzodithiole-4,7-diol
CID 121291099
1-pentylimidazol-2-amine
CID 61354351
3-hydroxy-6-propylimino-1,3,5-triazine-2,4-diamine
CID 23368067

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-octadecyliminopyrimidin-2-amine?
The IUPAC name of 1-hydroxy-6-octadecyliminopyrimidin-2-amine (CID 18765979) is 1-hydroxy-6-octadecyliminopyrimidin-2-amine.
What is the SMILES notation for 1-hydroxy-6-octadecyliminopyrimidin-2-amine?
The canonical SMILES for 1-hydroxy-6-octadecyliminopyrimidin-2-amine is CCCCCCCCCCCCCCCCCC/N=c1\ccnc(N)n1O.
What is the InChIKey of 1-hydroxy-6-octadecyliminopyrimidin-2-amine?
The InChIKey is CKAIGCUYEBGTAB-DARPEHSRSA-N. The full InChI is InChI=1S/C22H42N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-18-20-25-22(23)26(21)27/h18,20,27H,2-17,19H2,1H3,(H2,23,25)/b24-21+.
What are the key properties of 1-hydroxy-6-octadecyliminopyrimidin-2-amine?
1-hydroxy-6-octadecyliminopyrimidin-2-amine has a molecular weight of 378.61 g/mol, XLogP of 5.86, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-octadecyliminopyrimidin-2-amine is sourced from PubChem (CID 18765979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).