N-ethyl-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine

C11H12FN3OS — CID 80893242

IUPACN-ethyl-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine
SMILESCCNc1ncc(F)c(SCc2ccco2)n1
InChIInChI=1S/C11H12FN3OS/c1-2-13-11-14-6-9(12)10(15-11)17-7-8-4-3-5-16-8/h3-6H,2,7H2,1H3,(H,13,14,15)
InChIKeyLMZRHFNLTOTVAM-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.93
Rot. Bonds5

About N-ethyl-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine

N-ethyl-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine (PubChem CID 80893242) has the molecular formula C11H12FN3OS and a molecular weight of 253.30 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine
PubChem CID80893242
Molecular FormulaC11H12FN3OS
Molecular Weight253.30 g/mol
Exact Mass253.07
IUPAC NameN-ethyl-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine
SMILESCCNc1ncc(F)c(SCc2ccco2)n1
InChIInChI=1S/C11H12FN3OS/c1-2-13-11-14-6-9(12)10(15-11)17-7-8-4-3-5-16-8/h3-6H,2,7H2,1H3,(H,13,14,15)
InChIKeyLMZRHFNLTOTVAM-UHFFFAOYSA-N
XLogP2.93
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine (CID 80893242) is N-ethyl-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine is CCNc1ncc(F)c(SCc2ccco2)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine?
The InChIKey is LMZRHFNLTOTVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3OS/c1-2-13-11-14-6-9(12)10(15-11)17-7-8-4-3-5-16-8/h3-6H,2,7H2,1H3,(H,13,14,15).
What are the key properties of N-ethyl-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine?
N-ethyl-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine has a molecular weight of 253.30 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine is sourced from PubChem (CID 80893242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).