5-propylsulfanylpyrimidin-2-amine

C7H11N3S — CID 119083338

IUPAC5-propylsulfanylpyrimidin-2-amine
SMILESCCCSc1cnc(N)nc1
InChIInChI=1S/C7H11N3S/c1-2-3-11-6-4-9-7(8)10-5-6/h4-5H,2-3H2,1H3,(H2,8,9,10)
InChIKeyADDUTXMPNFDHBN-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.56
Rot. Bonds3

About 5-propylsulfanylpyrimidin-2-amine

5-propylsulfanylpyrimidin-2-amine (PubChem CID 119083338) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 5-propylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-propylsulfanylpyrimidin-2-amine
PubChem CID119083338
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name5-propylsulfanylpyrimidin-2-amine
SMILESCCCSc1cnc(N)nc1
InChIInChI=1S/C7H11N3S/c1-2-3-11-6-4-9-7(8)10-5-6/h4-5H,2-3H2,1H3,(H2,8,9,10)
InChIKeyADDUTXMPNFDHBN-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

Analyze 5-propylsulfanylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-propylsulfanylpyrimidin-2-amine?
The IUPAC name of 5-propylsulfanylpyrimidin-2-amine (CID 119083338) is 5-propylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-propylsulfanylpyrimidin-2-amine?
The canonical SMILES for 5-propylsulfanylpyrimidin-2-amine is CCCSc1cnc(N)nc1.
What is the InChIKey of 5-propylsulfanylpyrimidin-2-amine?
The InChIKey is ADDUTXMPNFDHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-2-3-11-6-4-9-7(8)10-5-6/h4-5H,2-3H2,1H3,(H2,8,9,10).
What are the key properties of 5-propylsulfanylpyrimidin-2-amine?
5-propylsulfanylpyrimidin-2-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 5-propylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 119083338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).