5-fluoro-4-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine

C11H14FN5S — CID 80891806

IUPAC5-fluoro-4-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Sc2cnn(C)c2)n1
InChIInChI=1S/C11H14FN5S/c1-3-4-13-11-14-6-9(12)10(16-11)18-8-5-15-17(2)7-8/h5-7H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyICBKJJXDRGQQLI-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.32
Rot. Bonds5

About 5-fluoro-4-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine

5-fluoro-4-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine (PubChem CID 80891806) has the molecular formula C11H14FN5S and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-fluoro-4-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine
PubChem CID80891806
Molecular FormulaC11H14FN5S
Molecular Weight267.33 g/mol
Exact Mass267.10
IUPAC Name5-fluoro-4-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Sc2cnn(C)c2)n1
InChIInChI=1S/C11H14FN5S/c1-3-4-13-11-14-6-9(12)10(16-11)18-8-5-15-17(2)7-8/h5-7H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyICBKJJXDRGQQLI-UHFFFAOYSA-N
XLogP2.32
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine (CID 80891806) is 5-fluoro-4-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(Sc2cnn(C)c2)n1.
What is the InChIKey of 5-fluoro-4-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine?
The InChIKey is ICBKJJXDRGQQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5S/c1-3-4-13-11-14-6-9(12)10(16-11)18-8-5-15-17(2)7-8/h5-7H,3-4H2,1-2H3,(H,13,14,16).
What are the key properties of 5-fluoro-4-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine?
5-fluoro-4-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine has a molecular weight of 267.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80891806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).