3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propane-1,2-diol

C8H12FN3O2 — CID 103878163

IUPAC3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propane-1,2-diol
SMILESCc1ncnc(NCC(O)CO)c1F
InChIInChI=1S/C8H12FN3O2/c1-5-7(9)8(12-4-11-5)10-2-6(14)3-13/h4,6,13-14H,2-3H2,1H3,(H,10,11,12)
InChIKeyVWXHTCUGFVMRGF-UHFFFAOYSA-N
MW201.20 g/mol
LogP-0.31
Rot. Bonds4

About 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propane-1,2-diol

3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propane-1,2-diol (PubChem CID 103878163) has the molecular formula C8H12FN3O2 and a molecular weight of 201.20 g/mol. Its IUPAC name is 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propane-1,2-diol
PubChem CID103878163
Molecular FormulaC8H12FN3O2
Molecular Weight201.20 g/mol
Exact Mass201.09
IUPAC Name3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propane-1,2-diol
SMILESCc1ncnc(NCC(O)CO)c1F
InChIInChI=1S/C8H12FN3O2/c1-5-7(9)8(12-4-11-5)10-2-6(14)3-13/h4,6,13-14H,2-3H2,1H3,(H,10,11,12)
InChIKeyVWXHTCUGFVMRGF-UHFFFAOYSA-N
XLogP-0.31
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propane-1,2-diol?
The IUPAC name of 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propane-1,2-diol (CID 103878163) is 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propane-1,2-diol is Cc1ncnc(NCC(O)CO)c1F.
What is the InChIKey of 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propane-1,2-diol?
The InChIKey is VWXHTCUGFVMRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O2/c1-5-7(9)8(12-4-11-5)10-2-6(14)3-13/h4,6,13-14H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propane-1,2-diol?
3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propane-1,2-diol has a molecular weight of 201.20 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propane-1,2-diol is sourced from PubChem (CID 103878163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).