5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine

C10H12FN5S — CID 107784934

IUPAC5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Sc2ncc[nH]2)n1
InChIInChI=1S/C10H12FN5S/c1-2-3-12-9-15-6-7(11)8(16-9)17-10-13-4-5-14-10/h4-6H,2-3H2,1H3,(H,13,14)(H,12,15,16)
InChIKeyJQSCNESSUVZEOB-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.31
Rot. Bonds5

About 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine

5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine (PubChem CID 107784934) has the molecular formula C10H12FN5S and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine
PubChem CID107784934
Molecular FormulaC10H12FN5S
Molecular Weight253.31 g/mol
Exact Mass253.08
IUPAC Name5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Sc2ncc[nH]2)n1
InChIInChI=1S/C10H12FN5S/c1-2-3-12-9-15-6-7(11)8(16-9)17-10-13-4-5-14-10/h4-6H,2-3H2,1H3,(H,13,14)(H,12,15,16)
InChIKeyJQSCNESSUVZEOB-UHFFFAOYSA-N
XLogP2.31
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine (CID 107784934) is 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(Sc2ncc[nH]2)n1.
What is the InChIKey of 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine?
The InChIKey is JQSCNESSUVZEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5S/c1-2-3-12-9-15-6-7(11)8(16-9)17-10-13-4-5-14-10/h4-6H,2-3H2,1H3,(H,13,14)(H,12,15,16).
What are the key properties of 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine?
5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine has a molecular weight of 253.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 107784934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).