5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine

C11H13FN4OS — CID 106928449

IUPAC5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
SMILESCCCNC1=NC=C(C(=N1)SC2=NC(=CO2)C)F
InChIInChI=1S/C11H13FN4OS/c1-3-4-13-10-14-5-8(12)9(16-10)18-11-15-7(2)6-17-11/h5-6H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyWFPWXYTYUIJRPO-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.10
Rot. Bonds5

About 5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine

5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine (PubChem CID 106928449) has the molecular formula C11H13FN4OS and a molecular weight of 268.31 g/mol. Its IUPAC name is 5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
PubChem CID106928449
Molecular FormulaC11H13FN4OS
Molecular Weight268.31 g/mol
Exact Mass268.08
IUPAC Name5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
SMILESCCCNC1=NC=C(C(=N1)SC2=NC(=CO2)C)F
InChIInChI=1S/C11H13FN4OS/c1-3-4-13-10-14-5-8(12)9(16-10)18-11-15-7(2)6-17-11/h5-6H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyWFPWXYTYUIJRPO-UHFFFAOYSA-N
XLogP3.10
TPSA89.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity261

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine with MolForge

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Related Compounds

2-(6-Fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 106923419
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 106923484
2-(6-Fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923496
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923555
5-fluoro-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928252
5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine
CID 106928253
N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928314
4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928315
5-Fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928320
N-ethyl-5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928349
N-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928434
5-fluoro-N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 106928448

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine (CID 106928449) is 5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine is CCCNC1=NC=C(C(=N1)SC2=NC(=CO2)C)F.
What is the InChIKey of 5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine?
The InChIKey is WFPWXYTYUIJRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4OS/c1-3-4-13-10-14-5-8(12)9(16-10)18-11-15-7(2)6-17-11/h5-6H,3-4H2,1-2H3,(H,13,14,16).
What are the key properties of 5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine?
5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine has a molecular weight of 268.31 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 106928449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).