3-[(6-Bromo-2-tert-butylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol

C11H15BrF3N3O — CID 105648295

IUPAC3-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCC(C)(C)C1=NC(=CC(=N1)Br)NCC(C(F)(F)F)O
InChIInChI=1S/C11H15BrF3N3O/c1-10(2,3)9-17-7(12)4-8(18-9)16-5-6(19)11(13,14)15/h4,6,19H,5H2,1-3H3,(H,16,17,18)
InChIKeyOUWFTCMLVJKPHD-UHFFFAOYSA-N
MW342.16 g/mol
LogP3.70
Rot. Bonds4

About 3-[(6-Bromo-2-tert-butylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol

3-[(6-Bromo-2-tert-butylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 105648295) has the molecular formula C11H15BrF3N3O and a molecular weight of 342.16 g/mol. Its IUPAC name is 3-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(6-Bromo-2-tert-butylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID105648295
Molecular FormulaC11H15BrF3N3O
Molecular Weight342.16 g/mol
Exact Mass341.04
IUPAC Name3-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCC(C)(C)C1=NC(=CC(=N1)Br)NCC(C(F)(F)F)O
InChIInChI=1S/C11H15BrF3N3O/c1-10(2,3)9-17-7(12)4-8(18-9)16-5-6(19)11(13,14)15/h4,6,19H,5H2,1-3H3,(H,16,17,18)
InChIKeyOUWFTCMLVJKPHD-UHFFFAOYSA-N
XLogP3.70
TPSA58.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity296

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-Bromo-2-tert-butylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(6-Bromo-2-tert-butylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol (CID 105648295) is 3-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(6-Bromo-2-tert-butylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(6-Bromo-2-tert-butylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol is CC(C)(C)C1=NC(=CC(=N1)Br)NCC(C(F)(F)F)O.
What is the InChIKey of 3-[(6-Bromo-2-tert-butylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is OUWFTCMLVJKPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF3N3O/c1-10(2,3)9-17-7(12)4-8(18-9)16-5-6(19)11(13,14)15/h4,6,19H,5H2,1-3H3,(H,16,17,18).
What are the key properties of 3-[(6-Bromo-2-tert-butylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(6-Bromo-2-tert-butylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 342.16 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-Bromo-2-tert-butylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 105648295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).