N-ethyl-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine

C9H10FN5S — CID 107784858

IUPACN-ethyl-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine
SMILESCCNc1ncc(F)c(Sc2ncc[nH]2)n1
InChIInChI=1S/C9H10FN5S/c1-2-11-8-14-5-6(10)7(15-8)16-9-12-3-4-13-9/h3-5H,2H2,1H3,(H,12,13)(H,11,14,15)
InChIKeyROQRNTBBQPDBFG-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.92
Rot. Bonds4

About N-ethyl-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine

N-ethyl-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine (PubChem CID 107784858) has the molecular formula C9H10FN5S and a molecular weight of 239.28 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine
PubChem CID107784858
Molecular FormulaC9H10FN5S
Molecular Weight239.28 g/mol
Exact Mass239.06
IUPAC NameN-ethyl-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine
SMILESCCNc1ncc(F)c(Sc2ncc[nH]2)n1
InChIInChI=1S/C9H10FN5S/c1-2-11-8-14-5-6(10)7(15-8)16-9-12-3-4-13-9/h3-5H,2H2,1H3,(H,12,13)(H,11,14,15)
InChIKeyROQRNTBBQPDBFG-UHFFFAOYSA-N
XLogP1.92
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine (CID 107784858) is N-ethyl-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine is CCNc1ncc(F)c(Sc2ncc[nH]2)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine?
The InChIKey is ROQRNTBBQPDBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5S/c1-2-11-8-14-5-6(10)7(15-8)16-9-12-3-4-13-9/h3-5H,2H2,1H3,(H,12,13)(H,11,14,15).
What are the key properties of N-ethyl-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine?
N-ethyl-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine has a molecular weight of 239.28 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine is sourced from PubChem (CID 107784858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).