2-tert-butyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidin-4-amine

C15H27N3O3 — CID 103176459

IUPAC2-tert-butyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidin-4-amine
SMILESCOCCCOCCOc1nc(C(C)(C)C)nc(N)c1C
InChIInChI=1S/C15H27N3O3/c1-11-12(16)17-14(15(2,3)4)18-13(11)21-10-9-20-8-6-7-19-5/h6-10H2,1-5H3,(H2,16,17,18)
InChIKeyOTKUJVGNKBOLPR-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.10
Rot. Bonds8

About 2-tert-butyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidin-4-amine

2-tert-butyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidin-4-amine (PubChem CID 103176459) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-tert-butyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidin-4-amine
PubChem CID103176459
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-tert-butyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidin-4-amine
SMILESCOCCCOCCOc1nc(C(C)(C)C)nc(N)c1C
InChIInChI=1S/C15H27N3O3/c1-11-12(16)17-14(15(2,3)4)18-13(11)21-10-9-20-8-6-7-19-5/h6-10H2,1-5H3,(H2,16,17,18)
InChIKeyOTKUJVGNKBOLPR-UHFFFAOYSA-N
XLogP2.10
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidin-4-amine (CID 103176459) is 2-tert-butyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidin-4-amine is COCCCOCCOc1nc(C(C)(C)C)nc(N)c1C.
What is the InChIKey of 2-tert-butyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidin-4-amine?
The InChIKey is OTKUJVGNKBOLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11-12(16)17-14(15(2,3)4)18-13(11)21-10-9-20-8-6-7-19-5/h6-10H2,1-5H3,(H2,16,17,18).
What are the key properties of 2-tert-butyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidin-4-amine?
2-tert-butyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidin-4-amine has a molecular weight of 297.40 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 103176459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).