5-fluoro-4-methyl-6-piperazin-1-ylpyrimidin-2-amine

C9H14FN5 — CID 59777329

IUPAC5-fluoro-4-methyl-6-piperazin-1-ylpyrimidin-2-amine
SMILESCc1nc(N)nc(N2CCNCC2)c1F
InChIInChI=1S/C9H14FN5/c1-6-7(10)8(14-9(11)13-6)15-4-2-12-3-5-15/h12H,2-5H2,1H3,(H2,11,13,14)
InChIKeyIYTYHYFAPNCLMW-UHFFFAOYSA-N
MW211.24 g/mol
LogP-0.08
Rot. Bonds1

About 5-fluoro-4-methyl-6-piperazin-1-ylpyrimidin-2-amine

5-fluoro-4-methyl-6-piperazin-1-ylpyrimidin-2-amine (PubChem CID 59777329) has the molecular formula C9H14FN5 and a molecular weight of 211.24 g/mol. Its IUPAC name is 5-fluoro-4-methyl-6-piperazin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methyl-6-piperazin-1-ylpyrimidin-2-amine
PubChem CID59777329
Molecular FormulaC9H14FN5
Molecular Weight211.24 g/mol
Exact Mass211.12
IUPAC Name5-fluoro-4-methyl-6-piperazin-1-ylpyrimidin-2-amine
SMILESCc1nc(N)nc(N2CCNCC2)c1F
InChIInChI=1S/C9H14FN5/c1-6-7(10)8(14-9(11)13-6)15-4-2-12-3-5-15/h12H,2-5H2,1H3,(H2,11,13,14)
InChIKeyIYTYHYFAPNCLMW-UHFFFAOYSA-N
XLogP-0.08
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-6-piperazin-1-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methyl-6-piperazin-1-ylpyrimidin-2-amine (CID 59777329) is 5-fluoro-4-methyl-6-piperazin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methyl-6-piperazin-1-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methyl-6-piperazin-1-ylpyrimidin-2-amine is Cc1nc(N)nc(N2CCNCC2)c1F.
What is the InChIKey of 5-fluoro-4-methyl-6-piperazin-1-ylpyrimidin-2-amine?
The InChIKey is IYTYHYFAPNCLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN5/c1-6-7(10)8(14-9(11)13-6)15-4-2-12-3-5-15/h12H,2-5H2,1H3,(H2,11,13,14).
What are the key properties of 5-fluoro-4-methyl-6-piperazin-1-ylpyrimidin-2-amine?
5-fluoro-4-methyl-6-piperazin-1-ylpyrimidin-2-amine has a molecular weight of 211.24 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-6-piperazin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 59777329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).