5-(7-methyltridecan-7-yloxy)pyrimidin-2-amine

C18H33N3O — CID 155370865

IUPAC5-(7-methyltridecan-7-yloxy)pyrimidin-2-amine
SMILESCCCCCCC(C)(CCCCCC)Oc1cnc(N)nc1
InChIInChI=1S/C18H33N3O/c1-4-6-8-10-12-18(3,13-11-9-7-5-2)22-16-14-20-17(19)21-15-16/h14-15H,4-13H2,1-3H3,(H2,19,20,21)
InChIKeyYPIMNOUQSQWPQC-UHFFFAOYSA-N
MW307.48 g/mol
LogP5.14
Rot. Bonds12

About 5-(7-methyltridecan-7-yloxy)pyrimidin-2-amine

5-(7-methyltridecan-7-yloxy)pyrimidin-2-amine (PubChem CID 155370865) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is 5-(7-methyltridecan-7-yloxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(7-methyltridecan-7-yloxy)pyrimidin-2-amine
PubChem CID155370865
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC Name5-(7-methyltridecan-7-yloxy)pyrimidin-2-amine
SMILESCCCCCCC(C)(CCCCCC)Oc1cnc(N)nc1
InChIInChI=1S/C18H33N3O/c1-4-6-8-10-12-18(3,13-11-9-7-5-2)22-16-14-20-17(19)21-15-16/h14-15H,4-13H2,1-3H3,(H2,19,20,21)
InChIKeyYPIMNOUQSQWPQC-UHFFFAOYSA-N
XLogP5.14
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-(2-methyloctan-2-yloxy)pyrimidine
CID 130337407
5-methoxy-2-(2-methyloctan-2-yl)pyrimidine
CID 126596037
5-octoxypyridin-2-amine
CID 43126983
2-(4-methyloctan-4-yloxy)pyrimidine
CID 155392643
5-hexylpyrimidine-2,4-diamine
CID 23086565
2-(2-amino-5-chloro-3-pyridinyl)heptan-2-ol
CID 80558572
5-(3-methylnonan-3-yloxymethyl)-1,3-oxazole
CID 139320118
3-methyl-3-(3-methyloctadecan-3-yloxy)octadecane
CID 141329279
5-methyl-1-(6-methyltridecan-6-yl)imidazole
CID 146379596
9-heptoxy-9-methylhenicosane
CID 91127088
3-methoxy-3-methyldodecane
CID 150409844
4-N-butyl-5-hexylpyrimidine-2,4-diamine
CID 123602752

Frequently Asked Questions

What is the IUPAC name of 5-(7-methyltridecan-7-yloxy)pyrimidin-2-amine?
The IUPAC name of 5-(7-methyltridecan-7-yloxy)pyrimidin-2-amine (CID 155370865) is 5-(7-methyltridecan-7-yloxy)pyrimidin-2-amine.
What is the SMILES notation for 5-(7-methyltridecan-7-yloxy)pyrimidin-2-amine?
The canonical SMILES for 5-(7-methyltridecan-7-yloxy)pyrimidin-2-amine is CCCCCCC(C)(CCCCCC)Oc1cnc(N)nc1.
What is the InChIKey of 5-(7-methyltridecan-7-yloxy)pyrimidin-2-amine?
The InChIKey is YPIMNOUQSQWPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O/c1-4-6-8-10-12-18(3,13-11-9-7-5-2)22-16-14-20-17(19)21-15-16/h14-15H,4-13H2,1-3H3,(H2,19,20,21).
What are the key properties of 5-(7-methyltridecan-7-yloxy)pyrimidin-2-amine?
5-(7-methyltridecan-7-yloxy)pyrimidin-2-amine has a molecular weight of 307.48 g/mol, XLogP of 5.14, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methyltridecan-7-yloxy)pyrimidin-2-amine is sourced from PubChem (CID 155370865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).