5-ethyl-4-N-(5-fluoro-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine

C16H21FN4 — CID 80751201

IUPAC5-ethyl-4-N-(5-fluoro-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(Nc2cc(F)ccc2C)c1CC
InChIInChI=1S/C16H21FN4/c1-4-8-18-15-13(5-2)16(20-10-19-15)21-14-9-12(17)7-6-11(14)3/h6-7,9-10H,4-5,8H2,1-3H3,(H2,18,19,20,21)
InChIKeyWNLUTLBUBUGDLV-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.05
Rot. Bonds6

About 5-ethyl-4-N-(5-fluoro-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine

5-ethyl-4-N-(5-fluoro-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80751201) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-ethyl-4-N-(5-fluoro-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-(5-fluoro-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80751201
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name5-ethyl-4-N-(5-fluoro-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(Nc2cc(F)ccc2C)c1CC
InChIInChI=1S/C16H21FN4/c1-4-8-18-15-13(5-2)16(20-10-19-15)21-14-9-12(17)7-6-11(14)3/h6-7,9-10H,4-5,8H2,1-3H3,(H2,18,19,20,21)
InChIKeyWNLUTLBUBUGDLV-UHFFFAOYSA-N
XLogP4.05
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-(5-fluoro-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-(5-fluoro-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine (CID 80751201) is 5-ethyl-4-N-(5-fluoro-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-(5-fluoro-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-(5-fluoro-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(Nc2cc(F)ccc2C)c1CC.
What is the InChIKey of 5-ethyl-4-N-(5-fluoro-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is WNLUTLBUBUGDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-4-8-18-15-13(5-2)16(20-10-19-15)21-14-9-12(17)7-6-11(14)3/h6-7,9-10H,4-5,8H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 5-ethyl-4-N-(5-fluoro-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine?
5-ethyl-4-N-(5-fluoro-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 288.37 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-(5-fluoro-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80751201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).