4-N-ethyl-2-N-(4-fluorophenyl)-6-propylpyrimidine-2,4-diamine

C15H19FN4 — CID 44526632

IUPAC4-N-ethyl-2-N-(4-fluorophenyl)-6-propylpyrimidine-2,4-diamine
SMILESCCCc1cc(NCC)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN4/c1-3-5-13-10-14(17-4-2)20-15(19-13)18-12-8-6-11(16)7-9-12/h6-10H,3-5H2,1-2H3,(H2,17,18,19,20)
InChIKeyITKVQOYVNIBHOM-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.74
Rot. Bonds6

About 4-N-ethyl-2-N-(4-fluorophenyl)-6-propylpyrimidine-2,4-diamine

4-N-ethyl-2-N-(4-fluorophenyl)-6-propylpyrimidine-2,4-diamine (PubChem CID 44526632) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-N-ethyl-2-N-(4-fluorophenyl)-6-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-(4-fluorophenyl)-6-propylpyrimidine-2,4-diamine
PubChem CID44526632
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name4-N-ethyl-2-N-(4-fluorophenyl)-6-propylpyrimidine-2,4-diamine
SMILESCCCc1cc(NCC)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN4/c1-3-5-13-10-14(17-4-2)20-15(19-13)18-12-8-6-11(16)7-9-12/h6-10H,3-5H2,1-2H3,(H2,17,18,19,20)
InChIKeyITKVQOYVNIBHOM-UHFFFAOYSA-N
XLogP3.74
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-(4-fluorophenyl)-6-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-(4-fluorophenyl)-6-propylpyrimidine-2,4-diamine (CID 44526632) is 4-N-ethyl-2-N-(4-fluorophenyl)-6-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-(4-fluorophenyl)-6-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-(4-fluorophenyl)-6-propylpyrimidine-2,4-diamine is CCCc1cc(NCC)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 4-N-ethyl-2-N-(4-fluorophenyl)-6-propylpyrimidine-2,4-diamine?
The InChIKey is ITKVQOYVNIBHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-3-5-13-10-14(17-4-2)20-15(19-13)18-12-8-6-11(16)7-9-12/h6-10H,3-5H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-ethyl-2-N-(4-fluorophenyl)-6-propylpyrimidine-2,4-diamine?
4-N-ethyl-2-N-(4-fluorophenyl)-6-propylpyrimidine-2,4-diamine has a molecular weight of 274.34 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-(4-fluorophenyl)-6-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 44526632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).