5-fluoro-2-N,4-N-dimorpholin-4-ylpyrimidine-2,4-diamine

C12H19FN6O2 — CID 11652317

IUPAC5-fluoro-2-N,4-N-dimorpholin-4-ylpyrimidine-2,4-diamine
SMILESFc1cnc(NN2CCOCC2)nc1NN1CCOCC1
InChIInChI=1S/C12H19FN6O2/c13-10-9-14-12(17-19-3-7-21-8-4-19)15-11(10)16-18-1-5-20-6-2-18/h9H,1-8H2,(H2,14,15,16,17)
InChIKeyYMIRKYHHYRQXIK-UHFFFAOYSA-N
MW298.32 g/mol
LogP-0.07
Rot. Bonds4

About 5-fluoro-2-N,4-N-dimorpholin-4-ylpyrimidine-2,4-diamine

5-fluoro-2-N,4-N-dimorpholin-4-ylpyrimidine-2,4-diamine (PubChem CID 11652317) has the molecular formula C12H19FN6O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 5-fluoro-2-N,4-N-dimorpholin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N,4-N-dimorpholin-4-ylpyrimidine-2,4-diamine
PubChem CID11652317
Molecular FormulaC12H19FN6O2
Molecular Weight298.32 g/mol
Exact Mass298.16
IUPAC Name5-fluoro-2-N,4-N-dimorpholin-4-ylpyrimidine-2,4-diamine
SMILESFc1cnc(NN2CCOCC2)nc1NN1CCOCC1
InChIInChI=1S/C12H19FN6O2/c13-10-9-14-12(17-19-3-7-21-8-4-19)15-11(10)16-18-1-5-20-6-2-18/h9H,1-8H2,(H2,14,15,16,17)
InChIKeyYMIRKYHHYRQXIK-UHFFFAOYSA-N
XLogP-0.07
TPSA74.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N,4-N-dimorpholin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N,4-N-dimorpholin-4-ylpyrimidine-2,4-diamine (CID 11652317) is 5-fluoro-2-N,4-N-dimorpholin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N,4-N-dimorpholin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N,4-N-dimorpholin-4-ylpyrimidine-2,4-diamine is Fc1cnc(NN2CCOCC2)nc1NN1CCOCC1.
What is the InChIKey of 5-fluoro-2-N,4-N-dimorpholin-4-ylpyrimidine-2,4-diamine?
The InChIKey is YMIRKYHHYRQXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN6O2/c13-10-9-14-12(17-19-3-7-21-8-4-19)15-11(10)16-18-1-5-20-6-2-18/h9H,1-8H2,(H2,14,15,16,17).
What are the key properties of 5-fluoro-2-N,4-N-dimorpholin-4-ylpyrimidine-2,4-diamine?
5-fluoro-2-N,4-N-dimorpholin-4-ylpyrimidine-2,4-diamine has a molecular weight of 298.32 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N,4-N-dimorpholin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 11652317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).