4-(6-amino-5-fluoropyrimidin-4-yl)thiomorpholin-2-amine

C8H12FN5S — CID 123722933

IUPAC4-(6-amino-5-fluoropyrimidin-4-yl)thiomorpholin-2-amine
SMILESNc1ncnc(N2CCSC(N)C2)c1F
InChIInChI=1S/C8H12FN5S/c9-6-7(11)12-4-13-8(6)14-1-2-15-5(10)3-14/h4-5H,1-3,10H2,(H2,11,12,13)
InChIKeyDAVMVIPFCFPYHW-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.04
Rot. Bonds1

About 4-(6-amino-5-fluoropyrimidin-4-yl)thiomorpholin-2-amine

4-(6-amino-5-fluoropyrimidin-4-yl)thiomorpholin-2-amine (PubChem CID 123722933) has the molecular formula C8H12FN5S and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(6-amino-5-fluoropyrimidin-4-yl)thiomorpholin-2-amine.

Molecular Properties

Compound Name4-(6-amino-5-fluoropyrimidin-4-yl)thiomorpholin-2-amine
PubChem CID123722933
Molecular FormulaC8H12FN5S
Molecular Weight229.28 g/mol
Exact Mass229.08
IUPAC Name4-(6-amino-5-fluoropyrimidin-4-yl)thiomorpholin-2-amine
SMILESNc1ncnc(N2CCSC(N)C2)c1F
InChIInChI=1S/C8H12FN5S/c9-6-7(11)12-4-13-8(6)14-1-2-15-5(10)3-14/h4-5H,1-3,10H2,(H2,11,12,13)
InChIKeyDAVMVIPFCFPYHW-UHFFFAOYSA-N
XLogP0.04
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-Fluoro-2-piperazin-1-ylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 54549819
6-(3-Aminopiperidin-1-yl)-5-fluoropyrimidin-4-amine
CID 123706377
6-[(3R)-3-aminopiperidin-1-yl]-5-fluoropyrimidin-4-amine
CID 145680505
4-(5-Fluoropyrimidin-4-yl)thiomorpholine
CID 171994288
5-Fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine
CID 80764069
5-fluoro-N-methyl-4-thiomorpholin-4-ylpyrimidin-2-amine
CID 80764346
5-fluoro-N-propyl-4-thiomorpholin-4-ylpyrimidin-2-amine
CID 80764347
N-ethyl-5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine
CID 80764441
N-ethyl-5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine
CID 80804549
5-Fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine
CID 80804796
5-fluoro-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine
CID 80805373
5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine
CID 80805374

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-5-fluoropyrimidin-4-yl)thiomorpholin-2-amine?
The IUPAC name of 4-(6-amino-5-fluoropyrimidin-4-yl)thiomorpholin-2-amine (CID 123722933) is 4-(6-amino-5-fluoropyrimidin-4-yl)thiomorpholin-2-amine.
What is the SMILES notation for 4-(6-amino-5-fluoropyrimidin-4-yl)thiomorpholin-2-amine?
The canonical SMILES for 4-(6-amino-5-fluoropyrimidin-4-yl)thiomorpholin-2-amine is Nc1ncnc(N2CCSC(N)C2)c1F.
What is the InChIKey of 4-(6-amino-5-fluoropyrimidin-4-yl)thiomorpholin-2-amine?
The InChIKey is DAVMVIPFCFPYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN5S/c9-6-7(11)12-4-13-8(6)14-1-2-15-5(10)3-14/h4-5H,1-3,10H2,(H2,11,12,13).
What are the key properties of 4-(6-amino-5-fluoropyrimidin-4-yl)thiomorpholin-2-amine?
4-(6-amino-5-fluoropyrimidin-4-yl)thiomorpholin-2-amine has a molecular weight of 229.28 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-5-fluoropyrimidin-4-yl)thiomorpholin-2-amine is sourced from PubChem (CID 123722933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).