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

C13H17FN4S — CID 133420521

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCCc2nc(C)c(C)s2)c1F
InChIInChI=1S/C13H17FN4S/c1-4-10-12(14)13(17-7-16-10)15-6-5-11-18-8(2)9(3)19-11/h7H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyRWIGISXUXLFJSC-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.91
Rot. Bonds5

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

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 133420521) has the molecular formula C13H17FN4S and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID133420521
Molecular FormulaC13H17FN4S
Molecular Weight280.37 g/mol
Exact Mass280.12
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCCc2nc(C)c(C)s2)c1F
InChIInChI=1S/C13H17FN4S/c1-4-10-12(14)13(17-7-16-10)15-6-5-11-18-8(2)9(3)19-11/h7H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyRWIGISXUXLFJSC-UHFFFAOYSA-N
XLogP2.91
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine (CID 133420521) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine is CCc1ncnc(NCCc2nc(C)c(C)s2)c1F.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is RWIGISXUXLFJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4S/c1-4-10-12(14)13(17-7-16-10)15-6-5-11-18-8(2)9(3)19-11/h7H,4-6H2,1-3H3,(H,15,16,17).
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 280.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 133420521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).