6-fluoro-N-(thiolan-3-yl)pyrimidin-4-amine

C8H10FN3S — CID 103064302

IUPAC6-fluoro-N-(thiolan-3-yl)pyrimidin-4-amine
SMILESFc1cc(NC2CCSC2)ncn1
InChIInChI=1S/C8H10FN3S/c9-7-3-8(11-5-10-7)12-6-1-2-13-4-6/h3,5-6H,1-2,4H2,(H,10,11,12)
InChIKeyFMKYKZWTFVHAMG-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.53
Rot. Bonds2

About 6-fluoro-N-(thiolan-3-yl)pyrimidin-4-amine

6-fluoro-N-(thiolan-3-yl)pyrimidin-4-amine (PubChem CID 103064302) has the molecular formula C8H10FN3S and a molecular weight of 199.25 g/mol. Its IUPAC name is 6-fluoro-N-(thiolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(thiolan-3-yl)pyrimidin-4-amine
PubChem CID103064302
Molecular FormulaC8H10FN3S
Molecular Weight199.25 g/mol
Exact Mass199.06
IUPAC Name6-fluoro-N-(thiolan-3-yl)pyrimidin-4-amine
SMILESFc1cc(NC2CCSC2)ncn1
InChIInChI=1S/C8H10FN3S/c9-7-3-8(11-5-10-7)12-6-1-2-13-4-6/h3,5-6H,1-2,4H2,(H,10,11,12)
InChIKeyFMKYKZWTFVHAMG-UHFFFAOYSA-N
XLogP1.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(thiolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-(thiolan-3-yl)pyrimidin-4-amine (CID 103064302) is 6-fluoro-N-(thiolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-(thiolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-(thiolan-3-yl)pyrimidin-4-amine is Fc1cc(NC2CCSC2)ncn1.
What is the InChIKey of 6-fluoro-N-(thiolan-3-yl)pyrimidin-4-amine?
The InChIKey is FMKYKZWTFVHAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3S/c9-7-3-8(11-5-10-7)12-6-1-2-13-4-6/h3,5-6H,1-2,4H2,(H,10,11,12).
What are the key properties of 6-fluoro-N-(thiolan-3-yl)pyrimidin-4-amine?
6-fluoro-N-(thiolan-3-yl)pyrimidin-4-amine has a molecular weight of 199.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(thiolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 103064302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).