1-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]-2-methylpentan-2-ol

C14H24BrN3O — CID 106293540

IUPAC1-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1cc(Br)nc(C(C)(C)C)n1
InChIInChI=1S/C14H24BrN3O/c1-6-7-14(5,19)9-16-11-8-10(15)17-12(18-11)13(2,3)4/h8,19H,6-7,9H2,1-5H3,(H,16,17,18)
InChIKeyVBZALCCSIJLXIK-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.50
Rot. Bonds5

About 1-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]-2-methylpentan-2-ol

1-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]-2-methylpentan-2-ol (PubChem CID 106293540) has the molecular formula C14H24BrN3O and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
PubChem CID106293540
Molecular FormulaC14H24BrN3O
Molecular Weight330.27 g/mol
Exact Mass329.11
IUPAC Name1-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1cc(Br)nc(C(C)(C)C)n1
InChIInChI=1S/C14H24BrN3O/c1-6-7-14(5,19)9-16-11-8-10(15)17-12(18-11)13(2,3)4/h8,19H,6-7,9H2,1-5H3,(H,16,17,18)
InChIKeyVBZALCCSIJLXIK-UHFFFAOYSA-N
XLogP3.50
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106294502
1-[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169544
1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296295
1-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106293545
1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169930
1-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296296
1-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 114169926
1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpentan-2-ol
CID 106294581
6-bromo-2-tert-butyl-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 106014151
1-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296318
3-[2-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 114172004
1-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169928

Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]-2-methylpentan-2-ol (CID 106293540) is 1-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]-2-methylpentan-2-ol is CCCC(C)(O)CNc1cc(Br)nc(C(C)(C)C)n1.
What is the InChIKey of 1-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The InChIKey is VBZALCCSIJLXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O/c1-6-7-14(5,19)9-16-11-8-10(15)17-12(18-11)13(2,3)4/h8,19H,6-7,9H2,1-5H3,(H,16,17,18).
What are the key properties of 1-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]-2-methylpentan-2-ol?
1-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]-2-methylpentan-2-ol has a molecular weight of 330.27 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]-2-methylpentan-2-ol is sourced from PubChem (CID 106293540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).