(2R)-3-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propane-1,2-diol

C9H14BrN3O2 — CID 138020226

IUPAC(2R)-3-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propane-1,2-diol
SMILESCc1nc(C)c(Br)c(NC[C@@H](O)CO)n1
InChIInChI=1S/C9H14BrN3O2/c1-5-8(10)9(13-6(2)12-5)11-3-7(15)4-14/h7,14-15H,3-4H2,1-2H3,(H,11,12,13)/t7-/m1/s1
InChIKeyILGHHSXIAIOSBU-SSDOTTSWSA-N
MW276.13 g/mol
LogP0.62
Rot. Bonds4

About (2R)-3-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propane-1,2-diol

(2R)-3-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propane-1,2-diol (PubChem CID 138020226) has the molecular formula C9H14BrN3O2 and a molecular weight of 276.13 g/mol. Its IUPAC name is (2R)-3-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propane-1,2-diol
PubChem CID138020226
Molecular FormulaC9H14BrN3O2
Molecular Weight276.13 g/mol
Exact Mass275.03
IUPAC Name(2R)-3-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propane-1,2-diol
SMILESCc1nc(C)c(Br)c(NC[C@@H](O)CO)n1
InChIInChI=1S/C9H14BrN3O2/c1-5-8(10)9(13-6(2)12-5)11-3-7(15)4-14/h7,14-15H,3-4H2,1-2H3,(H,11,12,13)/t7-/m1/s1
InChIKeyILGHHSXIAIOSBU-SSDOTTSWSA-N
XLogP0.62
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-3-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propane-1,2-diol with MolForge

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Related Compounds

(2R)-2-[[5-bromo-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 176273264
2-[[5-Bromo-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 176900731
5-bromo-N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150374
5-bromo-2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-N-propylpyrimidin-4-amine
CID 103150375
5-bromo-6-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150376
5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
CID 103476250
5-bromo-6-methyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
CID 103476252
3-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 103878163
5-bromo-2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 113781162
2-[(5-Fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol
CID 130707313
(2R)-1-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-2-ol
CID 130718347
2-[(5-Fluoro-2,6-dimethylpyrimidin-4-yl)amino]ethanol
CID 131159973

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propane-1,2-diol?
The IUPAC name of (2R)-3-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propane-1,2-diol (CID 138020226) is (2R)-3-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propane-1,2-diol?
The canonical SMILES for (2R)-3-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propane-1,2-diol is Cc1nc(C)c(Br)c(NC[C@@H](O)CO)n1.
What is the InChIKey of (2R)-3-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propane-1,2-diol?
The InChIKey is ILGHHSXIAIOSBU-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14BrN3O2/c1-5-8(10)9(13-6(2)12-5)11-3-7(15)4-14/h7,14-15H,3-4H2,1-2H3,(H,11,12,13)/t7-/m1/s1.
What are the key properties of (2R)-3-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propane-1,2-diol?
(2R)-3-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propane-1,2-diol has a molecular weight of 276.13 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propane-1,2-diol is sourced from PubChem (CID 138020226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).