1-hydroxy-4-methoxy-6-tridecyliminopyrimidin-2-amine

C18H34N4O2 — CID 18765981

IUPAC1-hydroxy-4-methoxy-6-tridecyliminopyrimidin-2-amine
SMILESCCCCCCCCCCCCC/N=c1\cc(OC)nc(N)n1O
InChIInChI=1S/C18H34N4O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-20-16-15-17(24-2)21-18(19)22(16)23/h15,23H,3-14H2,1-2H3,(H2,19,21)/b20-16+
InChIKeyPQKQZHDOTFCETD-CAPFRKAQSA-N
MW338.50 g/mol
LogP3.92
Rot. Bonds13

About 1-hydroxy-4-methoxy-6-tridecyliminopyrimidin-2-amine

1-hydroxy-4-methoxy-6-tridecyliminopyrimidin-2-amine (PubChem CID 18765981) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-hydroxy-4-methoxy-6-tridecyliminopyrimidin-2-amine.

Molecular Properties

Compound Name1-hydroxy-4-methoxy-6-tridecyliminopyrimidin-2-amine
PubChem CID18765981
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name1-hydroxy-4-methoxy-6-tridecyliminopyrimidin-2-amine
SMILESCCCCCCCCCCCCC/N=c1\cc(OC)nc(N)n1O
InChIInChI=1S/C18H34N4O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-20-16-15-17(24-2)21-18(19)22(16)23/h15,23H,3-14H2,1-2H3,(H2,19,21)/b20-16+
InChIKeyPQKQZHDOTFCETD-CAPFRKAQSA-N
XLogP3.92
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.92
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
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-methoxy-4-N-nonylpyrimidine-2,4-diamine
CID 91451166
4-N-dodecyl-6-methoxypyrimidine-2,4-diamine
CID 91378772
6-methoxy-4-N-nonadecylpyrimidine-2,4-diamine
CID 91279272
3-hydroxy-6-propylimino-1,3,5-triazine-2,4-diamine
CID 23368067
N-decyl-4,6-dimethoxypyrimidin-2-amine
CID 115355214
6-methoxy-2-methyl-N-octylpyrimidin-4-amine
CID 113337456

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-methoxy-6-tridecyliminopyrimidin-2-amine?
The IUPAC name of 1-hydroxy-4-methoxy-6-tridecyliminopyrimidin-2-amine (CID 18765981) is 1-hydroxy-4-methoxy-6-tridecyliminopyrimidin-2-amine.
What is the SMILES notation for 1-hydroxy-4-methoxy-6-tridecyliminopyrimidin-2-amine?
The canonical SMILES for 1-hydroxy-4-methoxy-6-tridecyliminopyrimidin-2-amine is CCCCCCCCCCCCC/N=c1\cc(OC)nc(N)n1O.
What is the InChIKey of 1-hydroxy-4-methoxy-6-tridecyliminopyrimidin-2-amine?
The InChIKey is PQKQZHDOTFCETD-CAPFRKAQSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-20-16-15-17(24-2)21-18(19)22(16)23/h15,23H,3-14H2,1-2H3,(H2,19,21)/b20-16+.
What are the key properties of 1-hydroxy-4-methoxy-6-tridecyliminopyrimidin-2-amine?
1-hydroxy-4-methoxy-6-tridecyliminopyrimidin-2-amine has a molecular weight of 338.50 g/mol, XLogP of 3.92, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-methoxy-6-tridecyliminopyrimidin-2-amine is sourced from PubChem (CID 18765981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).