N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine

C13H17FN4S — CID 103879939

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NC(C)c2sc(C)nc2C)c1F
InChIInChI=1S/C13H17FN4S/c1-5-10-11(14)13(16-6-15-10)18-8(3)12-7(2)17-9(4)19-12/h6,8H,5H2,1-4H3,(H,15,16,18)
InChIKeyYCMPCAJYOIOXAL-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.42
Rot. Bonds4

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 103879939) has the molecular formula C13H17FN4S and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID103879939
Molecular FormulaC13H17FN4S
Molecular Weight280.37 g/mol
Exact Mass280.12
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NC(C)c2sc(C)nc2C)c1F
InChIInChI=1S/C13H17FN4S/c1-5-10-11(14)13(16-6-15-10)18-8(3)12-7(2)17-9(4)19-12/h6,8H,5H2,1-4H3,(H,15,16,18)
InChIKeyYCMPCAJYOIOXAL-UHFFFAOYSA-N
XLogP3.42
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80783060
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3,5,6-tetrafluoroaniline
CID 107643595
6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 103879965
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-fluoropyrimidin-2-amine
CID 113286044
(2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoic acid
CID 120964282
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80901595
6-ethyl-5-fluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 113344408
4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol
CID 103880365
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-1,3-thiazol-2-amine
CID 62961184
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]butan-1-ol
CID 103867388
4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80808190
5-chloro-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80807513

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine (CID 103879939) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine is CCc1ncnc(NC(C)c2sc(C)nc2C)c1F.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is YCMPCAJYOIOXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4S/c1-5-10-11(14)13(16-6-15-10)18-8(3)12-7(2)17-9(4)19-12/h6,8H,5H2,1-4H3,(H,15,16,18).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 280.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 103879939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).