6-N-ethyl-4-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine

C16H21FN4 — CID 80782538

IUPAC6-N-ethyl-4-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(NC(C)c2cccc(F)c2)c1C
InChIInChI=1S/C16H21FN4/c1-5-18-15-10(2)16(21-12(4)20-15)19-11(3)13-7-6-8-14(17)9-13/h6-9,11H,5H2,1-4H3,(H2,18,19,20,21)
InChIKeyUYCFBCMKPDXBOM-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.84
Rot. Bonds5

About 6-N-ethyl-4-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine

6-N-ethyl-4-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80782538) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID80782538
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name6-N-ethyl-4-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(NC(C)c2cccc(F)c2)c1C
InChIInChI=1S/C16H21FN4/c1-5-18-15-10(2)16(21-12(4)20-15)19-11(3)13-7-6-8-14(17)9-13/h6-9,11H,5H2,1-4H3,(H2,18,19,20,21)
InChIKeyUYCFBCMKPDXBOM-UHFFFAOYSA-N
XLogP3.84
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine (CID 80782538) is 6-N-ethyl-4-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine is CCNc1nc(C)nc(NC(C)c2cccc(F)c2)c1C.
What is the InChIKey of 6-N-ethyl-4-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is UYCFBCMKPDXBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-5-18-15-10(2)16(21-12(4)20-15)19-11(3)13-7-6-8-14(17)9-13/h6-9,11H,5H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 6-N-ethyl-4-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 288.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80782538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).