N-ethyl-4-ethylsulfanyl-5-fluoropyrimidin-2-amine

C8H12FN3S — CID 80887029

IUPACN-ethyl-4-ethylsulfanyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(SCC)n1
InChIInChI=1S/C8H12FN3S/c1-3-10-8-11-5-6(9)7(12-8)13-4-2/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyMPVREAXDXKOUKM-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.16
Rot. Bonds4

About N-ethyl-4-ethylsulfanyl-5-fluoropyrimidin-2-amine

N-ethyl-4-ethylsulfanyl-5-fluoropyrimidin-2-amine (PubChem CID 80887029) has the molecular formula C8H12FN3S and a molecular weight of 201.27 g/mol. Its IUPAC name is N-ethyl-4-ethylsulfanyl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-ethylsulfanyl-5-fluoropyrimidin-2-amine
PubChem CID80887029
Molecular FormulaC8H12FN3S
Molecular Weight201.27 g/mol
Exact Mass201.07
IUPAC NameN-ethyl-4-ethylsulfanyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(SCC)n1
InChIInChI=1S/C8H12FN3S/c1-3-10-8-11-5-6(9)7(12-8)13-4-2/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyMPVREAXDXKOUKM-UHFFFAOYSA-N
XLogP2.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-ethylsulfanyl-5-fluoropyrimidin-2-amine?
The IUPAC name of N-ethyl-4-ethylsulfanyl-5-fluoropyrimidin-2-amine (CID 80887029) is N-ethyl-4-ethylsulfanyl-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-ethylsulfanyl-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-ethylsulfanyl-5-fluoropyrimidin-2-amine is CCNc1ncc(F)c(SCC)n1.
What is the InChIKey of N-ethyl-4-ethylsulfanyl-5-fluoropyrimidin-2-amine?
The InChIKey is MPVREAXDXKOUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3S/c1-3-10-8-11-5-6(9)7(12-8)13-4-2/h5H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of N-ethyl-4-ethylsulfanyl-5-fluoropyrimidin-2-amine?
N-ethyl-4-ethylsulfanyl-5-fluoropyrimidin-2-amine has a molecular weight of 201.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-ethylsulfanyl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80887029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).