2-chloro-5-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine

C9H11ClFN3S — CID 107297713

IUPAC2-chloro-5-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCC1CCSC1
InChIInChI=1S/C9H11ClFN3S/c10-9-13-4-7(11)8(14-9)12-3-6-1-2-15-5-6/h4,6H,1-3,5H2,(H,12,13,14)
InChIKeyIZQIDHGICHTQPA-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.43
Rot. Bonds3

About 2-chloro-5-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine

2-chloro-5-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine (PubChem CID 107297713) has the molecular formula C9H11ClFN3S and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
PubChem CID107297713
Molecular FormulaC9H11ClFN3S
Molecular Weight247.73 g/mol
Exact Mass247.03
IUPAC Name2-chloro-5-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCC1CCSC1
InChIInChI=1S/C9H11ClFN3S/c10-9-13-4-7(11)8(14-9)12-3-6-1-2-15-5-6/h4,6H,1-3,5H2,(H,12,13,14)
InChIKeyIZQIDHGICHTQPA-UHFFFAOYSA-N
XLogP2.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine (CID 107297713) is 2-chloro-5-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine is Fc1cnc(Cl)nc1NCC1CCSC1.
What is the InChIKey of 2-chloro-5-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is IZQIDHGICHTQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN3S/c10-9-13-4-7(11)8(14-9)12-3-6-1-2-15-5-6/h4,6H,1-3,5H2,(H,12,13,14).
What are the key properties of 2-chloro-5-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 247.73 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 107297713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).