5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpyrimidin-2-amine

C12H14FN5S — CID 80892724

IUPAC5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Sc2nccc(C)n2)n1
InChIInChI=1S/C12H14FN5S/c1-3-5-14-11-16-7-9(13)10(18-11)19-12-15-6-4-8(2)17-12/h4,6-7H,3,5H2,1-2H3,(H,14,16,18)
InChIKeyLMCLRSLYKSZYKO-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.69
Rot. Bonds5

About 5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpyrimidin-2-amine

5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpyrimidin-2-amine (PubChem CID 80892724) has the molecular formula C12H14FN5S and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpyrimidin-2-amine
PubChem CID80892724
Molecular FormulaC12H14FN5S
Molecular Weight279.34 g/mol
Exact Mass279.10
IUPAC Name5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Sc2nccc(C)n2)n1
InChIInChI=1S/C12H14FN5S/c1-3-5-14-11-16-7-9(13)10(18-11)19-12-15-6-4-8(2)17-12/h4,6-7H,3,5H2,1-2H3,(H,14,16,18)
InChIKeyLMCLRSLYKSZYKO-UHFFFAOYSA-N
XLogP2.69
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpyrimidin-2-amine (CID 80892724) is 5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(Sc2nccc(C)n2)n1.
What is the InChIKey of 5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpyrimidin-2-amine?
The InChIKey is LMCLRSLYKSZYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5S/c1-3-5-14-11-16-7-9(13)10(18-11)19-12-15-6-4-8(2)17-12/h4,6-7H,3,5H2,1-2H3,(H,14,16,18).
What are the key properties of 5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpyrimidin-2-amine?
5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpyrimidin-2-amine has a molecular weight of 279.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80892724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).