2-propylsulfanylpyrimidin-4-amine

C7H11N3S — CID 565451

IUPAC2-propylsulfanylpyrimidin-4-amine
SMILESCCCSc1nccc(N)n1
InChIInChI=1S/C7H11N3S/c1-2-5-11-7-9-4-3-6(8)10-7/h3-4H,2,5H2,1H3,(H2,8,9,10)
InChIKeyPQKDBKAIFCKPFM-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.56
Rot. Bonds3

About 2-propylsulfanylpyrimidin-4-amine

2-propylsulfanylpyrimidin-4-amine (PubChem CID 565451) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-propylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-propylsulfanylpyrimidin-4-amine
PubChem CID565451
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name2-propylsulfanylpyrimidin-4-amine
SMILESCCCSc1nccc(N)n1
InChIInChI=1S/C7H11N3S/c1-2-5-11-7-9-4-3-6(8)10-7/h3-4H,2,5H2,1H3,(H2,8,9,10)
InChIKeyPQKDBKAIFCKPFM-UHFFFAOYSA-N
XLogP1.56
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanylpyrimidin-4-amine?
The IUPAC name of 2-propylsulfanylpyrimidin-4-amine (CID 565451) is 2-propylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-propylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2-propylsulfanylpyrimidin-4-amine is CCCSc1nccc(N)n1.
What is the InChIKey of 2-propylsulfanylpyrimidin-4-amine?
The InChIKey is PQKDBKAIFCKPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-2-5-11-7-9-4-3-6(8)10-7/h3-4H,2,5H2,1H3,(H2,8,9,10).
What are the key properties of 2-propylsulfanylpyrimidin-4-amine?
2-propylsulfanylpyrimidin-4-amine has a molecular weight of 169.25 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 565451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).