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

C12H15FN4OS — CID 106928632

IUPAC4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Sc2nc(C)c(C)o2)n1
InChIInChI=1S/C12H15FN4OS/c1-4-5-14-11-15-6-9(13)10(17-11)19-12-16-7(2)8(3)18-12/h6H,4-5H2,1-3H3,(H,14,15,17)
InChIKeyHEWAJIPMTPLFRJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.19
Rot. Bonds5

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

4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-N-propylpyrimidin-2-amine (PubChem CID 106928632) has the molecular formula C12H15FN4OS and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-N-propylpyrimidin-2-amine
PubChem CID106928632
Molecular FormulaC12H15FN4OS
Molecular Weight282.34 g/mol
Exact Mass282.10
IUPAC Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Sc2nc(C)c(C)o2)n1
InChIInChI=1S/C12H15FN4OS/c1-4-5-14-11-15-6-9(13)10(17-11)19-12-16-7(2)8(3)18-12/h6H,4-5H2,1-3H3,(H,14,15,17)
InChIKeyHEWAJIPMTPLFRJ-UHFFFAOYSA-N
XLogP3.19
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.19
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]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928689
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoropyrimidin-2-amine
CID 106928693

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-N-propylpyrimidin-2-amine?
The IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-N-propylpyrimidin-2-amine (CID 106928632) is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(Sc2nc(C)c(C)o2)n1.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-N-propylpyrimidin-2-amine?
The InChIKey is HEWAJIPMTPLFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4OS/c1-4-5-14-11-15-6-9(13)10(17-11)19-12-16-7(2)8(3)18-12/h6H,4-5H2,1-3H3,(H,14,15,17).
What are the key properties of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-N-propylpyrimidin-2-amine?
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-N-propylpyrimidin-2-amine has a molecular weight of 282.34 g/mol, XLogP of 3.19, 5 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]-5-fluoro-N-propylpyrimidin-2-amine is sourced from PubChem (CID 106928632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).