4-N-ethyl-5-fluoro-4-N-phenylpyrimidine-2,4-diamine

C12H13FN4 — CID 80756179

IUPAC4-N-ethyl-5-fluoro-4-N-phenylpyrimidine-2,4-diamine
SMILESCCN(c1ccccc1)c1nc(N)ncc1F
InChIInChI=1S/C12H13FN4/c1-2-17(9-6-4-3-5-7-9)11-10(13)8-15-12(14)16-11/h3-8H,2H2,1H3,(H2,14,15,16)
InChIKeyUHMVUFOBTXQVFP-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.36
Rot. Bonds3

About 4-N-ethyl-5-fluoro-4-N-phenylpyrimidine-2,4-diamine

4-N-ethyl-5-fluoro-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 80756179) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-N-ethyl-5-fluoro-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-5-fluoro-4-N-phenylpyrimidine-2,4-diamine
PubChem CID80756179
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name4-N-ethyl-5-fluoro-4-N-phenylpyrimidine-2,4-diamine
SMILESCCN(c1ccccc1)c1nc(N)ncc1F
InChIInChI=1S/C12H13FN4/c1-2-17(9-6-4-3-5-7-9)11-10(13)8-15-12(14)16-11/h3-8H,2H2,1H3,(H2,14,15,16)
InChIKeyUHMVUFOBTXQVFP-UHFFFAOYSA-N
XLogP2.36
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-5-fluoro-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-5-fluoro-4-N-phenylpyrimidine-2,4-diamine (CID 80756179) is 4-N-ethyl-5-fluoro-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-5-fluoro-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-5-fluoro-4-N-phenylpyrimidine-2,4-diamine is CCN(c1ccccc1)c1nc(N)ncc1F.
What is the InChIKey of 4-N-ethyl-5-fluoro-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is UHMVUFOBTXQVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-2-17(9-6-4-3-5-7-9)11-10(13)8-15-12(14)16-11/h3-8H,2H2,1H3,(H2,14,15,16).
What are the key properties of 4-N-ethyl-5-fluoro-4-N-phenylpyrimidine-2,4-diamine?
4-N-ethyl-5-fluoro-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 232.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-5-fluoro-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 80756179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).