5-fluoro-2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine

C13H18FN5S — CID 80843752

IUPAC5-fluoro-2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NC(CC)c2nccs2)n1
InChIInChI=1S/C13H18FN5S/c1-3-5-16-13-17-8-9(14)11(19-13)18-10(4-2)12-15-6-7-20-12/h6-8,10H,3-5H2,1-2H3,(H2,16,17,18,19)
InChIKeyUBCYVTXAMJUMFL-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.46
Rot. Bonds7

About 5-fluoro-2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine

5-fluoro-2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine (PubChem CID 80843752) has the molecular formula C13H18FN5S and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-fluoro-2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine
PubChem CID80843752
Molecular FormulaC13H18FN5S
Molecular Weight295.39 g/mol
Exact Mass295.13
IUPAC Name5-fluoro-2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NC(CC)c2nccs2)n1
InChIInChI=1S/C13H18FN5S/c1-3-5-16-13-17-8-9(14)11(19-13)18-10(4-2)12-15-6-7-20-12/h6-8,10H,3-5H2,1-2H3,(H2,16,17,18,19)
InChIKeyUBCYVTXAMJUMFL-UHFFFAOYSA-N
XLogP3.46
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine (CID 80843752) is 5-fluoro-2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine is CCCNc1ncc(F)c(NC(CC)c2nccs2)n1.
What is the InChIKey of 5-fluoro-2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine?
The InChIKey is UBCYVTXAMJUMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN5S/c1-3-5-16-13-17-8-9(14)11(19-13)18-10(4-2)12-15-6-7-20-12/h6-8,10H,3-5H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-fluoro-2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine?
5-fluoro-2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine has a molecular weight of 295.39 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80843752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).