6-cyclobutyl-N-(1,1-dioxothiolan-3-yl)-5-fluoropyrimidin-4-amine

C12H16FN3O2S — CID 171323974

IUPAC6-cyclobutyl-N-(1,1-dioxothiolan-3-yl)-5-fluoropyrimidin-4-amine
SMILESO=S1(=O)CCC(Nc2ncnc(C3CCC3)c2F)C1
InChIInChI=1S/C12H16FN3O2S/c13-10-11(8-2-1-3-8)14-7-15-12(10)16-9-4-5-19(17,18)6-9/h7-9H,1-6H2,(H,14,15,16)
InChIKeyOIVFZZSYKKTQBI-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.48
Rot. Bonds3

About 6-cyclobutyl-N-(1,1-dioxothiolan-3-yl)-5-fluoropyrimidin-4-amine

6-cyclobutyl-N-(1,1-dioxothiolan-3-yl)-5-fluoropyrimidin-4-amine (PubChem CID 171323974) has the molecular formula C12H16FN3O2S and a molecular weight of 285.34 g/mol. Its IUPAC name is 6-cyclobutyl-N-(1,1-dioxothiolan-3-yl)-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclobutyl-N-(1,1-dioxothiolan-3-yl)-5-fluoropyrimidin-4-amine
PubChem CID171323974
Molecular FormulaC12H16FN3O2S
Molecular Weight285.34 g/mol
Exact Mass285.09
IUPAC Name6-cyclobutyl-N-(1,1-dioxothiolan-3-yl)-5-fluoropyrimidin-4-amine
SMILESO=S1(=O)CCC(Nc2ncnc(C3CCC3)c2F)C1
InChIInChI=1S/C12H16FN3O2S/c13-10-11(8-2-1-3-8)14-7-15-12(10)16-9-4-5-19(17,18)6-9/h7-9H,1-6H2,(H,14,15,16)
InChIKeyOIVFZZSYKKTQBI-UHFFFAOYSA-N
XLogP1.48
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-cyclobutyl-N-(1,1-dioxothiolan-3-yl)-5-fluoropyrimidin-4-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

N-(1,1-dioxothiolan-3-yl)quinazolin-4-amine
CID 20999363
N-[(3S)-1,1-dioxothiolan-3-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 41142352
N-(1,1-dioxothiolan-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110874971
4-N-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80772276
N-(1,1-dioxothiolan-3-yl)-6-hydrazinylpyrimidin-4-amine
CID 80932975
1,1-dioxo-N-(2,4,5-trifluorophenyl)thiolan-3-amine
CID 55118632
3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
CID 61373712
3-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carbonitrile
CID 62671449
N-(1,1-dioxothiolan-3-yl)-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110431982
4-N-(1,1-dioxothian-3-yl)quinazoline-4,6-diamine
CID 64588325
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 28548311
5-bromo-3-chloro-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
CID 103579980

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-N-(1,1-dioxothiolan-3-yl)-5-fluoropyrimidin-4-amine?
The IUPAC name of 6-cyclobutyl-N-(1,1-dioxothiolan-3-yl)-5-fluoropyrimidin-4-amine (CID 171323974) is 6-cyclobutyl-N-(1,1-dioxothiolan-3-yl)-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 6-cyclobutyl-N-(1,1-dioxothiolan-3-yl)-5-fluoropyrimidin-4-amine?
The canonical SMILES for 6-cyclobutyl-N-(1,1-dioxothiolan-3-yl)-5-fluoropyrimidin-4-amine is O=S1(=O)CCC(Nc2ncnc(C3CCC3)c2F)C1.
What is the InChIKey of 6-cyclobutyl-N-(1,1-dioxothiolan-3-yl)-5-fluoropyrimidin-4-amine?
The InChIKey is OIVFZZSYKKTQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2S/c13-10-11(8-2-1-3-8)14-7-15-12(10)16-9-4-5-19(17,18)6-9/h7-9H,1-6H2,(H,14,15,16).
What are the key properties of 6-cyclobutyl-N-(1,1-dioxothiolan-3-yl)-5-fluoropyrimidin-4-amine?
6-cyclobutyl-N-(1,1-dioxothiolan-3-yl)-5-fluoropyrimidin-4-amine has a molecular weight of 285.34 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-N-(1,1-dioxothiolan-3-yl)-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 171323974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).