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

C9H9FN4OS — CID 106928693

IUPAC4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoropyrimidin-2-amine
SMILESCc1nc(Sc2nc(N)ncc2F)oc1C
InChIInChI=1S/C9H9FN4OS/c1-4-5(2)15-9(13-4)16-7-6(10)3-12-8(11)14-7/h3H,1-2H3,(H2,11,12,14)
InChIKeyXGBAOBDPSVKZNX-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.95
Rot. Bonds2

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

4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoropyrimidin-2-amine (PubChem CID 106928693) has the molecular formula C9H9FN4OS and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoropyrimidin-2-amine
PubChem CID106928693
Molecular FormulaC9H9FN4OS
Molecular Weight240.26 g/mol
Exact Mass240.05
IUPAC Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoropyrimidin-2-amine
SMILESCc1nc(Sc2nc(N)ncc2F)oc1C
InChIInChI=1S/C9H9FN4OS/c1-4-5(2)15-9(13-4)16-7-6(10)3-12-8(11)14-7/h3H,1-2H3,(H2,11,12,14)
InChIKeyXGBAOBDPSVKZNX-UHFFFAOYSA-N
XLogP1.95
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[(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
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-5-fluoropyrimidin-2-amine
CID 106928721
[5-Fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-yl]hydrazine
CID 106928815
[4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine
CID 106928866
N-ethyl-5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 113894301

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoropyrimidin-2-amine (CID 106928693) is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoropyrimidin-2-amine is Cc1nc(Sc2nc(N)ncc2F)oc1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoropyrimidin-2-amine?
The InChIKey is XGBAOBDPSVKZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4OS/c1-4-5(2)15-9(13-4)16-7-6(10)3-12-8(11)14-7/h3H,1-2H3,(H2,11,12,14).
What are the key properties of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoropyrimidin-2-amine?
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoropyrimidin-2-amine has a molecular weight of 240.26 g/mol, XLogP of 1.95, 2 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-fluoropyrimidin-2-amine is sourced from PubChem (CID 106928693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).