5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine

C13H23FN4 — CID 113336792

IUPAC5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
SMILESCCCCCCCCNc1nc(NC)ncc1F
InChIInChI=1S/C13H23FN4/c1-3-4-5-6-7-8-9-16-12-11(14)10-17-13(15-2)18-12/h10H,3-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyVLOYLBCZDUBOLK-UHFFFAOYSA-N
MW254.35 g/mol
LogP3.43
Rot. Bonds9

About 5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine

5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine (PubChem CID 113336792) has the molecular formula C13H23FN4 and a molecular weight of 254.35 g/mol. Its IUPAC name is 5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
PubChem CID113336792
Molecular FormulaC13H23FN4
Molecular Weight254.35 g/mol
Exact Mass254.19
IUPAC Name5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
SMILESCCCCCCCCNc1nc(NC)ncc1F
InChIInChI=1S/C13H23FN4/c1-3-4-5-6-7-8-9-16-12-11(14)10-17-13(15-2)18-12/h10H,3-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyVLOYLBCZDUBOLK-UHFFFAOYSA-N
XLogP3.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-N-methyl-4-N-(6-methylsulfanylhexyl)pyrimidine-2,4-diamine
CID 114126675
4-N-hexyl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80835831
4-N-decyl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80854389
5-chloro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336805
5-bromo-4-N-decyl-2-N-methylpyrimidine-2,4-diamine
CID 80854822
5-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106138236
5-fluoro-2-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80828658
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771875
4-N-(2-cyclopropylethyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80847388
5-fluoro-2-N-methyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine
CID 80835356
4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 114133535
4-N-[2-(dimethylamino)propyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80819052

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine (CID 113336792) is 5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine is CCCCCCCCNc1nc(NC)ncc1F.
What is the InChIKey of 5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine?
The InChIKey is VLOYLBCZDUBOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN4/c1-3-4-5-6-7-8-9-16-12-11(14)10-17-13(15-2)18-12/h10H,3-9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine?
5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine has a molecular weight of 254.35 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine is sourced from PubChem (CID 113336792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).