4-tert-butyl-5-(2-methoxyethoxy)pyrimidin-2-amine

C11H19N3O2 — CID 165484905

IUPAC4-tert-butyl-5-(2-methoxyethoxy)pyrimidin-2-amine
SMILESCOCCOc1cnc(N)nc1C(C)(C)C
InChIInChI=1S/C11H19N3O2/c1-11(2,3)9-8(16-6-5-15-4)7-13-10(12)14-9/h7H,5-6H2,1-4H3,(H2,12,13,14)
InChIKeyULTKDUAHINLSRR-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.38
Rot. Bonds4

About 4-tert-butyl-5-(2-methoxyethoxy)pyrimidin-2-amine

4-tert-butyl-5-(2-methoxyethoxy)pyrimidin-2-amine (PubChem CID 165484905) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-tert-butyl-5-(2-methoxyethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-5-(2-methoxyethoxy)pyrimidin-2-amine
PubChem CID165484905
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-tert-butyl-5-(2-methoxyethoxy)pyrimidin-2-amine
SMILESCOCCOc1cnc(N)nc1C(C)(C)C
InChIInChI=1S/C11H19N3O2/c1-11(2,3)9-8(16-6-5-15-4)7-13-10(12)14-9/h7H,5-6H2,1-4H3,(H2,12,13,14)
InChIKeyULTKDUAHINLSRR-UHFFFAOYSA-N
XLogP1.38
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-tert-butyl-5-(2-methoxyethoxy)pyrimidin-2-amine?
The IUPAC name of 4-tert-butyl-5-(2-methoxyethoxy)pyrimidin-2-amine (CID 165484905) is 4-tert-butyl-5-(2-methoxyethoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-tert-butyl-5-(2-methoxyethoxy)pyrimidin-2-amine?
The canonical SMILES for 4-tert-butyl-5-(2-methoxyethoxy)pyrimidin-2-amine is COCCOc1cnc(N)nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-(2-methoxyethoxy)pyrimidin-2-amine?
The InChIKey is ULTKDUAHINLSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,3)9-8(16-6-5-15-4)7-13-10(12)14-9/h7H,5-6H2,1-4H3,(H2,12,13,14).
What are the key properties of 4-tert-butyl-5-(2-methoxyethoxy)pyrimidin-2-amine?
4-tert-butyl-5-(2-methoxyethoxy)pyrimidin-2-amine has a molecular weight of 225.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-(2-methoxyethoxy)pyrimidin-2-amine is sourced from PubChem (CID 165484905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).