6-heptadecylimino-1-hydroxypyrimidin-2-amine

C21H40N4O — CID 18766018

IUPAC6-heptadecylimino-1-hydroxypyrimidin-2-amine
SMILESCCCCCCCCCCCCCCCCC/N=c1\ccnc(N)n1O
InChIInChI=1S/C21H40N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23-20-17-19-24-21(22)25(20)26/h17,19,26H,2-16,18H2,1H3,(H2,22,24)/b23-20+
InChIKeyUGCWYMGJOZFQJD-BSYVCWPDSA-N
MW364.58 g/mol
LogP5.47
Rot. Bonds16

About 6-heptadecylimino-1-hydroxypyrimidin-2-amine

6-heptadecylimino-1-hydroxypyrimidin-2-amine (PubChem CID 18766018) has the molecular formula C21H40N4O and a molecular weight of 364.58 g/mol. Its IUPAC name is 6-heptadecylimino-1-hydroxypyrimidin-2-amine.

Molecular Properties

Compound Name6-heptadecylimino-1-hydroxypyrimidin-2-amine
PubChem CID18766018
Molecular FormulaC21H40N4O
Molecular Weight364.58 g/mol
Exact Mass364.32
IUPAC Name6-heptadecylimino-1-hydroxypyrimidin-2-amine
SMILESCCCCCCCCCCCCCCCCC/N=c1\ccnc(N)n1O
InChIInChI=1S/C21H40N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23-20-17-19-24-21(22)25(20)26/h17,19,26H,2-16,18H2,1H3,(H2,22,24)/b23-20+
InChIKeyUGCWYMGJOZFQJD-BSYVCWPDSA-N
XLogP5.47
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.58
LogP ≤ 55.47
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'}

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Related Compounds

1-hydroxy-6-octadecyliminopyrimidin-2-amine
CID 18765979
3-[(2-amino-3-hydroxypyrimidin-4-ylidene)amino]propan-1-ol
CID 59654221
1-hydroxy-4-methoxy-6-tridecyliminopyrimidin-2-amine
CID 18765981
4-butoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine
CID 18766004
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 6-heptadecylimino-1-hydroxypyrimidin-2-amine?
The IUPAC name of 6-heptadecylimino-1-hydroxypyrimidin-2-amine (CID 18766018) is 6-heptadecylimino-1-hydroxypyrimidin-2-amine.
What is the SMILES notation for 6-heptadecylimino-1-hydroxypyrimidin-2-amine?
The canonical SMILES for 6-heptadecylimino-1-hydroxypyrimidin-2-amine is CCCCCCCCCCCCCCCCC/N=c1\ccnc(N)n1O.
What is the InChIKey of 6-heptadecylimino-1-hydroxypyrimidin-2-amine?
The InChIKey is UGCWYMGJOZFQJD-BSYVCWPDSA-N. The full InChI is InChI=1S/C21H40N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23-20-17-19-24-21(22)25(20)26/h17,19,26H,2-16,18H2,1H3,(H2,22,24)/b23-20+.
What are the key properties of 6-heptadecylimino-1-hydroxypyrimidin-2-amine?
6-heptadecylimino-1-hydroxypyrimidin-2-amine has a molecular weight of 364.58 g/mol, XLogP of 5.47, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptadecylimino-1-hydroxypyrimidin-2-amine is sourced from PubChem (CID 18766018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).