5-fluoro-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine

C15H19FN4 — CID 80778083

IUPAC5-fluoro-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NCc2ccc(C)cc2)n1
InChIInChI=1S/C15H19FN4/c1-3-8-17-15-19-10-13(16)14(20-15)18-9-12-6-4-11(2)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyHHLWKQMDUMOBSP-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.36
Rot. Bonds6

About 5-fluoro-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine

5-fluoro-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80778083) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 5-fluoro-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID80778083
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name5-fluoro-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NCc2ccc(C)cc2)n1
InChIInChI=1S/C15H19FN4/c1-3-8-17-15-19-10-13(16)14(20-15)18-9-12-6-4-11(2)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyHHLWKQMDUMOBSP-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 80828035
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80771057
5-fluoro-4-N-(1,2-oxazol-5-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 114187078
4-N-[(2-bromophenyl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80794797
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771875
4-N-butan-2-yl-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80765731
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 106378528
5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80767954
4-N-[2-(dimethylamino)propyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80819161
5-fluoro-4-N-[(1-methylcyclopentyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80846627
5-fluoro-4-N-[2-(3-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80774383
4-N-(2-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80847389

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine (CID 80778083) is 5-fluoro-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(NCc2ccc(C)cc2)n1.
What is the InChIKey of 5-fluoro-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is HHLWKQMDUMOBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-3-8-17-15-19-10-13(16)14(20-15)18-9-12-6-4-11(2)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 5-fluoro-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
5-fluoro-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 274.34 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80778083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).