1-[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-2-ol

C13H22BrN3O — CID 114169544

IUPAC1-[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1cc(Br)nc(C(C)C)n1
InChIInChI=1S/C13H22BrN3O/c1-5-6-13(4,18)8-15-11-7-10(14)16-12(17-11)9(2)3/h7,9,18H,5-6,8H2,1-4H3,(H,15,16,17)
InChIKeyUAKDSJAXNRZCOX-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.33
Rot. Bonds6

About 1-[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-2-ol

1-[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-2-ol (PubChem CID 114169544) has the molecular formula C13H22BrN3O and a molecular weight of 316.24 g/mol. Its IUPAC name is 1-[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
PubChem CID114169544
Molecular FormulaC13H22BrN3O
Molecular Weight316.24 g/mol
Exact Mass315.09
IUPAC Name1-[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1cc(Br)nc(C(C)C)n1
InChIInChI=1S/C13H22BrN3O/c1-5-6-13(4,18)8-15-11-7-10(14)16-12(17-11)9(2)3/h7,9,18H,5-6,8H2,1-4H3,(H,15,16,17)
InChIKeyUAKDSJAXNRZCOX-UHFFFAOYSA-N
XLogP3.33
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296295
1-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106293540
2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 63962761
1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
CID 80960165
2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80960142
3-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 114145570
1-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
CID 80969009
6-bromo-2-propan-2-yl-N-prop-2-enylpyrimidin-4-amine
CID 106194655
1-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106293545
4-N-(2,2-dimethylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 103466665
1-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106294502
2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80955543

Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-2-ol (CID 114169544) is 1-[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-2-ol is CCCC(C)(O)CNc1cc(Br)nc(C(C)C)n1.
What is the InChIKey of 1-[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The InChIKey is UAKDSJAXNRZCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3O/c1-5-6-13(4,18)8-15-11-7-10(14)16-12(17-11)9(2)3/h7,9,18H,5-6,8H2,1-4H3,(H,15,16,17).
What are the key properties of 1-[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-2-ol?
1-[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-2-ol has a molecular weight of 316.24 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-2-ol is sourced from PubChem (CID 114169544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).