2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine

C11H14FN5 — CID 83093937

IUPAC2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2cn(C)nc2C)nc(C)c1F
InChIInChI=1S/C11H14FN5/c1-6-8(5-17(4)16-6)10-14-7(2)9(12)11(13-3)15-10/h5H,1-4H3,(H,13,14,15)
InChIKeyILGZNILIMDTTGG-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.67
Rot. Bonds2

About 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine

2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine (PubChem CID 83093937) has the molecular formula C11H14FN5 and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
PubChem CID83093937
Molecular FormulaC11H14FN5
Molecular Weight235.27 g/mol
Exact Mass235.12
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2cn(C)nc2C)nc(C)c1F
InChIInChI=1S/C11H14FN5/c1-6-8(5-17(4)16-6)10-14-7(2)9(12)11(13-3)15-10/h5H,1-4H3,(H,13,14,15)
InChIKeyILGZNILIMDTTGG-UHFFFAOYSA-N
XLogP1.67
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine (CID 83093937) is 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine is CNc1nc(-c2cn(C)nc2C)nc(C)c1F.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine?
The InChIKey is ILGZNILIMDTTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5/c1-6-8(5-17(4)16-6)10-14-7(2)9(12)11(13-3)15-10/h5H,1-4H3,(H,13,14,15).
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine?
2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine has a molecular weight of 235.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 83093937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).