5-fluoro-6-piperidin-1-ylpyrimidine-2,4-diamine

C9H14FN5 — CID 57013885

IUPAC5-fluoro-6-piperidin-1-ylpyrimidine-2,4-diamine
SMILESNc1nc(N)c(F)c(N2CCCCC2)n1
InChIInChI=1S/C9H14FN5/c10-6-7(11)13-9(12)14-8(6)15-4-2-1-3-5-15/h1-5H2,(H4,11,12,13,14)
InChIKeyZCRAQGIESKYUSK-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.77
Rot. Bonds1

About 5-fluoro-6-piperidin-1-ylpyrimidine-2,4-diamine

5-fluoro-6-piperidin-1-ylpyrimidine-2,4-diamine (PubChem CID 57013885) has the molecular formula C9H14FN5 and a molecular weight of 211.24 g/mol. Its IUPAC name is 5-fluoro-6-piperidin-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-6-piperidin-1-ylpyrimidine-2,4-diamine
PubChem CID57013885
Molecular FormulaC9H14FN5
Molecular Weight211.24 g/mol
Exact Mass211.12
IUPAC Name5-fluoro-6-piperidin-1-ylpyrimidine-2,4-diamine
SMILESNc1nc(N)c(F)c(N2CCCCC2)n1
InChIInChI=1S/C9H14FN5/c10-6-7(11)13-9(12)14-8(6)15-4-2-1-3-5-15/h1-5H2,(H4,11,12,13,14)
InChIKeyZCRAQGIESKYUSK-UHFFFAOYSA-N
XLogP0.77
TPSA81.06 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 ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-piperidin-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-6-piperidin-1-ylpyrimidine-2,4-diamine (CID 57013885) is 5-fluoro-6-piperidin-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-6-piperidin-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-6-piperidin-1-ylpyrimidine-2,4-diamine is Nc1nc(N)c(F)c(N2CCCCC2)n1.
What is the InChIKey of 5-fluoro-6-piperidin-1-ylpyrimidine-2,4-diamine?
The InChIKey is ZCRAQGIESKYUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN5/c10-6-7(11)13-9(12)14-8(6)15-4-2-1-3-5-15/h1-5H2,(H4,11,12,13,14).
What are the key properties of 5-fluoro-6-piperidin-1-ylpyrimidine-2,4-diamine?
5-fluoro-6-piperidin-1-ylpyrimidine-2,4-diamine has a molecular weight of 211.24 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-piperidin-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 57013885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).