2-(5-fluoro-1,3-dimethylpyrazol-4-yl)pyrimidin-4-amine

C9H10FN5 — CID 167426169

IUPAC2-(5-fluoro-1,3-dimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCc1nn(C)c(F)c1-c1nccc(N)n1
InChIInChI=1S/C9H10FN5/c1-5-7(8(10)15(2)14-5)9-12-4-3-6(11)13-9/h3-4H,1-2H3,(H2,11,12,13)
InChIKeyMFZQLUKGDBCUNK-UHFFFAOYSA-N
MW207.21 g/mol
LogP0.91
Rot. Bonds1

About 2-(5-fluoro-1,3-dimethylpyrazol-4-yl)pyrimidin-4-amine

2-(5-fluoro-1,3-dimethylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 167426169) has the molecular formula C9H10FN5 and a molecular weight of 207.21 g/mol. Its IUPAC name is 2-(5-fluoro-1,3-dimethylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-fluoro-1,3-dimethylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID167426169
Molecular FormulaC9H10FN5
Molecular Weight207.21 g/mol
Exact Mass207.09
IUPAC Name2-(5-fluoro-1,3-dimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCc1nn(C)c(F)c1-c1nccc(N)n1
InChIInChI=1S/C9H10FN5/c1-5-7(8(10)15(2)14-5)9-12-4-3-6(11)13-9/h3-4H,1-2H3,(H2,11,12,13)
InChIKeyMFZQLUKGDBCUNK-UHFFFAOYSA-N
XLogP0.91
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1,3-dimethylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-(5-fluoro-1,3-dimethylpyrazol-4-yl)pyrimidin-4-amine (CID 167426169) is 2-(5-fluoro-1,3-dimethylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(5-fluoro-1,3-dimethylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(5-fluoro-1,3-dimethylpyrazol-4-yl)pyrimidin-4-amine is Cc1nn(C)c(F)c1-c1nccc(N)n1.
What is the InChIKey of 2-(5-fluoro-1,3-dimethylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is MFZQLUKGDBCUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5/c1-5-7(8(10)15(2)14-5)9-12-4-3-6(11)13-9/h3-4H,1-2H3,(H2,11,12,13).
What are the key properties of 2-(5-fluoro-1,3-dimethylpyrazol-4-yl)pyrimidin-4-amine?
2-(5-fluoro-1,3-dimethylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 207.21 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1,3-dimethylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 167426169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).