6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine

C14H25N3O — CID 82458095

IUPAC6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine
SMILESCCCCOc1cc(NCC)nc(CC(C)C)n1
InChIInChI=1S/C14H25N3O/c1-5-7-8-18-14-10-12(15-6-2)16-13(17-14)9-11(3)4/h10-11H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyRADUTFISKCTLEH-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.29
Rot. Bonds8

About 6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine

6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 82458095) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine
PubChem CID82458095
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine
SMILESCCCCOc1cc(NCC)nc(CC(C)C)n1
InChIInChI=1S/C14H25N3O/c1-5-7-8-18-14-10-12(15-6-2)16-13(17-14)9-11(3)4/h10-11H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyRADUTFISKCTLEH-UHFFFAOYSA-N
XLogP3.29
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.29
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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Frequently Asked Questions

What is the IUPAC name of 6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine (CID 82458095) is 6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine is CCCCOc1cc(NCC)nc(CC(C)C)n1.
What is the InChIKey of 6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is RADUTFISKCTLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-7-8-18-14-10-12(15-6-2)16-13(17-14)9-11(3)4/h10-11H,5-9H2,1-4H3,(H,15,16,17).
What are the key properties of 6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine?
6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 251.37 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 82458095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).