5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine

C10H11FN4S2 — CID 141304002

IUPAC5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESCSc1ncc(F)c(N(C)Cc2nccs2)n1
InChIInChI=1S/C10H11FN4S2/c1-15(6-8-12-3-4-17-8)9-7(11)5-13-10(14-9)16-2/h3-5H,6H2,1-2H3
InChIKeyUEBLZIDENHNWAM-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.43
Rot. Bonds4

About 5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine

5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (PubChem CID 141304002) has the molecular formula C10H11FN4S2 and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
PubChem CID141304002
Molecular FormulaC10H11FN4S2
Molecular Weight270.36 g/mol
Exact Mass270.04
IUPAC Name5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESCSc1ncc(F)c(N(C)Cc2nccs2)n1
InChIInChI=1S/C10H11FN4S2/c1-15(6-8-12-3-4-17-8)9-7(11)5-13-10(14-9)16-2/h3-5H,6H2,1-2H3
InChIKeyUEBLZIDENHNWAM-UHFFFAOYSA-N
XLogP2.43
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (CID 141304002) is 5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is CSc1ncc(F)c(N(C)Cc2nccs2)n1.
What is the InChIKey of 5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is UEBLZIDENHNWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4S2/c1-15(6-8-12-3-4-17-8)9-7(11)5-13-10(14-9)16-2/h3-5H,6H2,1-2H3.
What are the key properties of 5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 270.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 141304002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).