5-fluoro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidin-4-amine

C8H8FN5 — CID 130573402

IUPAC5-fluoro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidin-4-amine
SMILESCc1nc(-c2cn[nH]c2)nc(N)c1F
InChIInChI=1S/C8H8FN5/c1-4-6(9)7(10)14-8(13-4)5-2-11-12-3-5/h2-3H,1H3,(H,11,12)(H2,10,13,14)
InChIKeyNWMWLULMPKBIJK-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.90
Rot. Bonds1

About 5-fluoro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidin-4-amine

5-fluoro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidin-4-amine (PubChem CID 130573402) has the molecular formula C8H8FN5 and a molecular weight of 193.19 g/mol. Its IUPAC name is 5-fluoro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidin-4-amine
PubChem CID130573402
Molecular FormulaC8H8FN5
Molecular Weight193.19 g/mol
Exact Mass193.08
IUPAC Name5-fluoro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidin-4-amine
SMILESCc1nc(-c2cn[nH]c2)nc(N)c1F
InChIInChI=1S/C8H8FN5/c1-4-6(9)7(10)14-8(13-4)5-2-11-12-3-5/h2-3H,1H3,(H,11,12)(H2,10,13,14)
InChIKeyNWMWLULMPKBIJK-UHFFFAOYSA-N
XLogP0.90
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidin-4-amine (CID 130573402) is 5-fluoro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidin-4-amine is Cc1nc(-c2cn[nH]c2)nc(N)c1F.
What is the InChIKey of 5-fluoro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is NWMWLULMPKBIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5/c1-4-6(9)7(10)14-8(13-4)5-2-11-12-3-5/h2-3H,1H3,(H,11,12)(H2,10,13,14).
What are the key properties of 5-fluoro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidin-4-amine?
5-fluoro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 193.19 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 130573402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).