5-bromo-6-tert-butyl-N-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine

C14H22BrN3O — CID 66307213

IUPAC5-bromo-6-tert-butyl-N-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine
SMILESCCNc1nc(C2CCOC2)nc(C(C)(C)C)c1Br
InChIInChI=1S/C14H22BrN3O/c1-5-16-13-10(15)11(14(2,3)4)17-12(18-13)9-6-7-19-8-9/h9H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyRSUBLKWXGYKLKB-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.47
Rot. Bonds3

About 5-bromo-6-tert-butyl-N-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine

5-bromo-6-tert-butyl-N-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine (PubChem CID 66307213) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-N-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-N-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine
PubChem CID66307213
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name5-bromo-6-tert-butyl-N-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine
SMILESCCNc1nc(C2CCOC2)nc(C(C)(C)C)c1Br
InChIInChI=1S/C14H22BrN3O/c1-5-16-13-10(15)11(14(2,3)4)17-12(18-13)9-6-7-19-8-9/h9H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyRSUBLKWXGYKLKB-UHFFFAOYSA-N
XLogP3.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-N-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-N-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine (CID 66307213) is 5-bromo-6-tert-butyl-N-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-N-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-N-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine is CCNc1nc(C2CCOC2)nc(C(C)(C)C)c1Br.
What is the InChIKey of 5-bromo-6-tert-butyl-N-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine?
The InChIKey is RSUBLKWXGYKLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-5-16-13-10(15)11(14(2,3)4)17-12(18-13)9-6-7-19-8-9/h9H,5-8H2,1-4H3,(H,16,17,18).
What are the key properties of 5-bromo-6-tert-butyl-N-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine?
5-bromo-6-tert-butyl-N-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine has a molecular weight of 328.25 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-tert-butyl-N-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 66307213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).