4-[2-(diethylamino)ethylsulfanyl]-5-fluoropyrimidin-2-amine

C10H17FN4S — CID 80890818

IUPAC4-[2-(diethylamino)ethylsulfanyl]-5-fluoropyrimidin-2-amine
SMILESCCN(CC)CCSc1nc(N)ncc1F
InChIInChI=1S/C10H17FN4S/c1-3-15(4-2)5-6-16-9-8(11)7-13-10(12)14-9/h7H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyFTTZYOMIGGIJSE-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.63
Rot. Bonds6

About 4-[2-(diethylamino)ethylsulfanyl]-5-fluoropyrimidin-2-amine

4-[2-(diethylamino)ethylsulfanyl]-5-fluoropyrimidin-2-amine (PubChem CID 80890818) has the molecular formula C10H17FN4S and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethylsulfanyl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(diethylamino)ethylsulfanyl]-5-fluoropyrimidin-2-amine
PubChem CID80890818
Molecular FormulaC10H17FN4S
Molecular Weight244.34 g/mol
Exact Mass244.12
IUPAC Name4-[2-(diethylamino)ethylsulfanyl]-5-fluoropyrimidin-2-amine
SMILESCCN(CC)CCSc1nc(N)ncc1F
InChIInChI=1S/C10H17FN4S/c1-3-15(4-2)5-6-16-9-8(11)7-13-10(12)14-9/h7H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyFTTZYOMIGGIJSE-UHFFFAOYSA-N
XLogP1.63
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethylsulfanyl]-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-[2-(diethylamino)ethylsulfanyl]-5-fluoropyrimidin-2-amine (CID 80890818) is 4-[2-(diethylamino)ethylsulfanyl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-[2-(diethylamino)ethylsulfanyl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-[2-(diethylamino)ethylsulfanyl]-5-fluoropyrimidin-2-amine is CCN(CC)CCSc1nc(N)ncc1F.
What is the InChIKey of 4-[2-(diethylamino)ethylsulfanyl]-5-fluoropyrimidin-2-amine?
The InChIKey is FTTZYOMIGGIJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4S/c1-3-15(4-2)5-6-16-9-8(11)7-13-10(12)14-9/h7H,3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-[2-(diethylamino)ethylsulfanyl]-5-fluoropyrimidin-2-amine?
4-[2-(diethylamino)ethylsulfanyl]-5-fluoropyrimidin-2-amine has a molecular weight of 244.34 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethylsulfanyl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80890818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).