5-fluoro-N-methyl-N-(thiolan-3-yl)pyrimidin-2-amine

C9H12FN3S — CID 126771208

IUPAC5-fluoro-N-methyl-N-(thiolan-3-yl)pyrimidin-2-amine
SMILESCN(c1ncc(F)cn1)C1CCSC1
InChIInChI=1S/C9H12FN3S/c1-13(8-2-3-14-6-8)9-11-4-7(10)5-12-9/h4-5,8H,2-3,6H2,1H3
InChIKeyICBOUGJCQFLQAM-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.56
Rot. Bonds2

About 5-fluoro-N-methyl-N-(thiolan-3-yl)pyrimidin-2-amine

5-fluoro-N-methyl-N-(thiolan-3-yl)pyrimidin-2-amine (PubChem CID 126771208) has the molecular formula C9H12FN3S and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-fluoro-N-methyl-N-(thiolan-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-N-(thiolan-3-yl)pyrimidin-2-amine
PubChem CID126771208
Molecular FormulaC9H12FN3S
Molecular Weight213.28 g/mol
Exact Mass213.07
IUPAC Name5-fluoro-N-methyl-N-(thiolan-3-yl)pyrimidin-2-amine
SMILESCN(c1ncc(F)cn1)C1CCSC1
InChIInChI=1S/C9H12FN3S/c1-13(8-2-3-14-6-8)9-11-4-7(10)5-12-9/h4-5,8H,2-3,6H2,1H3
InChIKeyICBOUGJCQFLQAM-UHFFFAOYSA-N
XLogP1.56
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-N-methyl-N-(thiolan-3-yl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-N-(thiolan-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-N-(thiolan-3-yl)pyrimidin-2-amine (CID 126771208) is 5-fluoro-N-methyl-N-(thiolan-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-N-(thiolan-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-N-(thiolan-3-yl)pyrimidin-2-amine is CN(c1ncc(F)cn1)C1CCSC1.
What is the InChIKey of 5-fluoro-N-methyl-N-(thiolan-3-yl)pyrimidin-2-amine?
The InChIKey is ICBOUGJCQFLQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3S/c1-13(8-2-3-14-6-8)9-11-4-7(10)5-12-9/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 5-fluoro-N-methyl-N-(thiolan-3-yl)pyrimidin-2-amine?
5-fluoro-N-methyl-N-(thiolan-3-yl)pyrimidin-2-amine has a molecular weight of 213.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-N-(thiolan-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 126771208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).