5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-2-amine

C8H12FN3O2S — CID 115749979

IUPAC5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-2-amine
SMILESCS(=O)(=O)CCCNc1ncc(F)cn1
InChIInChI=1S/C8H12FN3O2S/c1-15(13,14)4-2-3-10-8-11-5-7(9)6-12-8/h5-6H,2-4H2,1H3,(H,10,11,12)
InChIKeyQWDTXHGMAZMUPQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.46
Rot. Bonds5

About 5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-2-amine

5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-2-amine (PubChem CID 115749979) has the molecular formula C8H12FN3O2S and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-2-amine
PubChem CID115749979
Molecular FormulaC8H12FN3O2S
Molecular Weight233.27 g/mol
Exact Mass233.06
IUPAC Name5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-2-amine
SMILESCS(=O)(=O)CCCNc1ncc(F)cn1
InChIInChI=1S/C8H12FN3O2S/c1-15(13,14)4-2-3-10-8-11-5-7(9)6-12-8/h5-6H,2-4H2,1H3,(H,10,11,12)
InChIKeyQWDTXHGMAZMUPQ-UHFFFAOYSA-N
XLogP0.46
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-fluoro-N-(3-methylsulfonylpropyl)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

Related Compounds

2-[(5-fluoropyrimidin-2-yl)amino]-N-methylethanesulfonamide
CID 102675409
5-fluoro-N-octylpyrimidin-2-amine
CID 115765356
N-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 115749816
5-fluoro-N-(4-methoxybutyl)pyrimidin-2-amine
CID 115749945
5-fluoro-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 61313739
N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
CID 112703775
5-chloro-2-N-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-2,4-diamine
CID 80811591
5-fluoro-N-(3-methylbutyl)pyrimidin-2-amine
CID 115749812
5-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-2-amine
CID 126990894
5,6-dimethyl-N-(3-methylsulfonylpropyl)pyrazin-2-amine
CID 114475440
3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine
CID 104533920
N'-benzyl-N-(5-fluoropyrimidin-2-yl)-N'-methylpropane-1,3-diamine
CID 115749884

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-2-amine (CID 115749979) is 5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-2-amine is CS(=O)(=O)CCCNc1ncc(F)cn1.
What is the InChIKey of 5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-2-amine?
The InChIKey is QWDTXHGMAZMUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O2S/c1-15(13,14)4-2-3-10-8-11-5-7(9)6-12-8/h5-6H,2-4H2,1H3,(H,10,11,12).
What are the key properties of 5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-2-amine?
5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-2-amine has a molecular weight of 233.27 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 115749979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).