1-[(5-bromo-4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol

C9H14BrN3O — CID 130821689

IUPAC1-[(5-bromo-4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol
SMILESCc1nc(NCC(C)(C)O)ncc1Br
InChIInChI=1S/C9H14BrN3O/c1-6-7(10)4-11-8(13-6)12-5-9(2,3)14/h4,14H,5H2,1-3H3,(H,11,12,13)
InChIKeyVQLSEVXFWQRUIA-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.73
Rot. Bonds3

About 1-[(5-bromo-4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol

1-[(5-bromo-4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol (PubChem CID 130821689) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 1-[(5-bromo-4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-bromo-4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol
PubChem CID130821689
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name1-[(5-bromo-4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol
SMILESCc1nc(NCC(C)(C)O)ncc1Br
InChIInChI=1S/C9H14BrN3O/c1-6-7(10)4-11-8(13-6)12-5-9(2,3)14/h4,14H,5H2,1-3H3,(H,11,12,13)
InChIKeyVQLSEVXFWQRUIA-UHFFFAOYSA-N
XLogP1.73
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(5-bromo-4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol (CID 130821689) is 1-[(5-bromo-4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(5-bromo-4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(5-bromo-4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol is Cc1nc(NCC(C)(C)O)ncc1Br.
What is the InChIKey of 1-[(5-bromo-4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol?
The InChIKey is VQLSEVXFWQRUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-6-7(10)4-11-8(13-6)12-5-9(2,3)14/h4,14H,5H2,1-3H3,(H,11,12,13).
What are the key properties of 1-[(5-bromo-4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol?
1-[(5-bromo-4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol has a molecular weight of 260.13 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 130821689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).