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

C14H15BrFN3O2 — CID 70682470

IUPAC(2R)-3-[[2-(4-bromo-3-fluorophenyl)-6-methylpyrimidin-4-yl]amino]propane-1,2-diol
SMILESCc1cc(NC[C@@H](O)CO)nc(-c2ccc(Br)c(F)c2)n1
InChIInChI=1S/C14H15BrFN3O2/c1-8-4-13(17-6-10(21)7-20)19-14(18-8)9-2-3-11(15)12(16)5-9/h2-5,10,20-21H,6-7H2,1H3,(H,17,18,19)/t10-/m1/s1
InChIKeyKKARPHGXIVJIEA-SNVBAGLBSA-N
MW356.20 g/mol
LogP2.12
Rot. Bonds5

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

(2R)-3-[[2-(4-bromo-3-fluorophenyl)-6-methylpyrimidin-4-yl]amino]propane-1,2-diol (PubChem CID 70682470) has the molecular formula C14H15BrFN3O2 and a molecular weight of 356.20 g/mol. Its IUPAC name is (2R)-3-[[2-(4-bromo-3-fluorophenyl)-6-methylpyrimidin-4-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[[2-(4-bromo-3-fluorophenyl)-6-methylpyrimidin-4-yl]amino]propane-1,2-diol
PubChem CID70682470
Molecular FormulaC14H15BrFN3O2
Molecular Weight356.20 g/mol
Exact Mass355.03
IUPAC Name(2R)-3-[[2-(4-bromo-3-fluorophenyl)-6-methylpyrimidin-4-yl]amino]propane-1,2-diol
SMILESCc1cc(NC[C@@H](O)CO)nc(-c2ccc(Br)c(F)c2)n1
InChIInChI=1S/C14H15BrFN3O2/c1-8-4-13(17-6-10(21)7-20)19-14(18-8)9-2-3-11(15)12(16)5-9/h2-5,10,20-21H,6-7H2,1H3,(H,17,18,19)/t10-/m1/s1
InChIKeyKKARPHGXIVJIEA-SNVBAGLBSA-N
XLogP2.12
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.20
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[2-(4-bromo-3-fluorophenyl)-6-methylpyrimidin-4-yl]amino]propane-1,2-diol?
The IUPAC name of (2R)-3-[[2-(4-bromo-3-fluorophenyl)-6-methylpyrimidin-4-yl]amino]propane-1,2-diol (CID 70682470) is (2R)-3-[[2-(4-bromo-3-fluorophenyl)-6-methylpyrimidin-4-yl]amino]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[[2-(4-bromo-3-fluorophenyl)-6-methylpyrimidin-4-yl]amino]propane-1,2-diol?
The canonical SMILES for (2R)-3-[[2-(4-bromo-3-fluorophenyl)-6-methylpyrimidin-4-yl]amino]propane-1,2-diol is Cc1cc(NC[C@@H](O)CO)nc(-c2ccc(Br)c(F)c2)n1.
What is the InChIKey of (2R)-3-[[2-(4-bromo-3-fluorophenyl)-6-methylpyrimidin-4-yl]amino]propane-1,2-diol?
The InChIKey is KKARPHGXIVJIEA-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15BrFN3O2/c1-8-4-13(17-6-10(21)7-20)19-14(18-8)9-2-3-11(15)12(16)5-9/h2-5,10,20-21H,6-7H2,1H3,(H,17,18,19)/t10-/m1/s1.
What are the key properties of (2R)-3-[[2-(4-bromo-3-fluorophenyl)-6-methylpyrimidin-4-yl]amino]propane-1,2-diol?
(2R)-3-[[2-(4-bromo-3-fluorophenyl)-6-methylpyrimidin-4-yl]amino]propane-1,2-diol has a molecular weight of 356.20 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[2-(4-bromo-3-fluorophenyl)-6-methylpyrimidin-4-yl]amino]propane-1,2-diol is sourced from PubChem (CID 70682470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).