6-benzylsulfanyl-5-propylpyrimidin-4-amine

C14H17N3S — CID 80887991

IUPAC6-benzylsulfanyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1SCc1ccccc1
InChIInChI=1S/C14H17N3S/c1-2-6-12-13(15)16-10-17-14(12)18-9-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3,(H2,15,16,17)
InChIKeyZSNLMNDVUDAREY-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.30
Rot. Bonds5

About 6-benzylsulfanyl-5-propylpyrimidin-4-amine

6-benzylsulfanyl-5-propylpyrimidin-4-amine (PubChem CID 80887991) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 6-benzylsulfanyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-benzylsulfanyl-5-propylpyrimidin-4-amine
PubChem CID80887991
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name6-benzylsulfanyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1SCc1ccccc1
InChIInChI=1S/C14H17N3S/c1-2-6-12-13(15)16-10-17-14(12)18-9-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3,(H2,15,16,17)
InChIKeyZSNLMNDVUDAREY-UHFFFAOYSA-N
XLogP3.30
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzylsulfanyl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-benzylsulfanyl-5-propylpyrimidin-4-amine (CID 80887991) is 6-benzylsulfanyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-benzylsulfanyl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-benzylsulfanyl-5-propylpyrimidin-4-amine is CCCc1c(N)ncnc1SCc1ccccc1.
What is the InChIKey of 6-benzylsulfanyl-5-propylpyrimidin-4-amine?
The InChIKey is ZSNLMNDVUDAREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-2-6-12-13(15)16-10-17-14(12)18-9-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3,(H2,15,16,17).
What are the key properties of 6-benzylsulfanyl-5-propylpyrimidin-4-amine?
6-benzylsulfanyl-5-propylpyrimidin-4-amine has a molecular weight of 259.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylsulfanyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80887991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).