2-N-ethyl-5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine

C10H11FN4S — CID 80850459

IUPAC2-N-ethyl-5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(Nc2ccsc2)n1
InChIInChI=1S/C10H11FN4S/c1-2-12-10-13-5-8(11)9(15-10)14-7-3-4-16-6-7/h3-6H,2H2,1H3,(H2,12,13,14,15)
InChIKeyFJJGRWICGINZGS-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.85
Rot. Bonds4

About 2-N-ethyl-5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine

2-N-ethyl-5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine (PubChem CID 80850459) has the molecular formula C10H11FN4S and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-N-ethyl-5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine
PubChem CID80850459
Molecular FormulaC10H11FN4S
Molecular Weight238.29 g/mol
Exact Mass238.07
IUPAC Name2-N-ethyl-5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(Nc2ccsc2)n1
InChIInChI=1S/C10H11FN4S/c1-2-12-10-13-5-8(11)9(15-10)14-7-3-4-16-6-7/h3-6H,2H2,1H3,(H2,12,13,14,15)
InChIKeyFJJGRWICGINZGS-UHFFFAOYSA-N
XLogP2.85
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine (CID 80850459) is 2-N-ethyl-5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine is CCNc1ncc(F)c(Nc2ccsc2)n1.
What is the InChIKey of 2-N-ethyl-5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine?
The InChIKey is FJJGRWICGINZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4S/c1-2-12-10-13-5-8(11)9(15-10)14-7-3-4-16-6-7/h3-6H,2H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-N-ethyl-5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine?
2-N-ethyl-5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine has a molecular weight of 238.29 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 80850459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).