4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-fluoropyrimidin-2-amine

C11H13FN4OS — CID 106928721

IUPAC4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(Sc2nc(C)c(C)o2)n1
InChIInChI=1S/C11H13FN4OS/c1-4-13-10-14-5-8(12)9(16-10)18-11-15-6(2)7(3)17-11/h5H,4H2,1-3H3,(H,13,14,16)
InChIKeyXBHWTUJHBWUPOV-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.80
Rot. Bonds4

About 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-fluoropyrimidin-2-amine

4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-fluoropyrimidin-2-amine (PubChem CID 106928721) has the molecular formula C11H13FN4OS and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-fluoropyrimidin-2-amine
PubChem CID106928721
Molecular FormulaC11H13FN4OS
Molecular Weight268.32 g/mol
Exact Mass268.08
IUPAC Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(Sc2nc(C)c(C)o2)n1
InChIInChI=1S/C11H13FN4OS/c1-4-13-10-14-5-8(12)9(16-10)18-11-15-6(2)7(3)17-11/h5H,4H2,1-3H3,(H,13,14,16)
InChIKeyXBHWTUJHBWUPOV-UHFFFAOYSA-N
XLogP2.80
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-2-amine
CID 103826072
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-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine
CID 106928253
N-ethyl-5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928349
5-fluoro-N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 106928448
5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 106928449
5-Fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 106928514
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928621
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-N-propylpyrimidin-2-amine
CID 106928632
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928689

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-fluoropyrimidin-2-amine (CID 106928721) is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-fluoropyrimidin-2-amine is CCNc1ncc(F)c(Sc2nc(C)c(C)o2)n1.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-fluoropyrimidin-2-amine?
The InChIKey is XBHWTUJHBWUPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4OS/c1-4-13-10-14-5-8(12)9(16-10)18-11-15-6(2)7(3)17-11/h5H,4H2,1-3H3,(H,13,14,16).
What are the key properties of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-fluoropyrimidin-2-amine?
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-fluoropyrimidin-2-amine has a molecular weight of 268.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 106928721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).