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

C13H15FN4 — CID 44526629

IUPAC4-N-ethyl-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCNc1cc(C)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN4/c1-3-15-12-8-9(2)16-13(18-12)17-11-6-4-10(14)5-7-11/h4-8H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyBAEKHZZBCGDKGV-UHFFFAOYSA-N
MW246.29 g/mol
LogP3.10
Rot. Bonds4

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

4-N-ethyl-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 44526629) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-N-ethyl-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID44526629
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name4-N-ethyl-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCNc1cc(C)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN4/c1-3-15-12-8-9(2)16-13(18-12)17-11-6-4-10(14)5-7-11/h4-8H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyBAEKHZZBCGDKGV-UHFFFAOYSA-N
XLogP3.10
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 53.10
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-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine (CID 44526629) is 4-N-ethyl-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine is CCNc1cc(C)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 4-N-ethyl-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is BAEKHZZBCGDKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-3-15-12-8-9(2)16-13(18-12)17-11-6-4-10(14)5-7-11/h4-8H,3H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-ethyl-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
4-N-ethyl-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 246.29 g/mol, XLogP of 3.10, 4 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-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 44526629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).