2-(2-benzylsulfanylpropyl)-6-chloropyrimidin-4-amine

C14H16ClN3S — CID 57373782

IUPAC2-(2-benzylsulfanylpropyl)-6-chloropyrimidin-4-amine
SMILESCC(Cc1nc(N)cc(Cl)n1)SCc1ccccc1
InChIInChI=1S/C14H16ClN3S/c1-10(19-9-11-5-3-2-4-6-11)7-14-17-12(15)8-13(16)18-14/h2-6,8,10H,7,9H2,1H3,(H2,16,17,18)
InChIKeyUUGRJGGUCZWMNL-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.58
Rot. Bonds5

About 2-(2-benzylsulfanylpropyl)-6-chloropyrimidin-4-amine

2-(2-benzylsulfanylpropyl)-6-chloropyrimidin-4-amine (PubChem CID 57373782) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 2-(2-benzylsulfanylpropyl)-6-chloropyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-benzylsulfanylpropyl)-6-chloropyrimidin-4-amine
PubChem CID57373782
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name2-(2-benzylsulfanylpropyl)-6-chloropyrimidin-4-amine
SMILESCC(Cc1nc(N)cc(Cl)n1)SCc1ccccc1
InChIInChI=1S/C14H16ClN3S/c1-10(19-9-11-5-3-2-4-6-11)7-14-17-12(15)8-13(16)18-14/h2-6,8,10H,7,9H2,1H3,(H2,16,17,18)
InChIKeyUUGRJGGUCZWMNL-UHFFFAOYSA-N
XLogP3.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylsulfanylpropyl)-6-chloropyrimidin-4-amine?
The IUPAC name of 2-(2-benzylsulfanylpropyl)-6-chloropyrimidin-4-amine (CID 57373782) is 2-(2-benzylsulfanylpropyl)-6-chloropyrimidin-4-amine.
What is the SMILES notation for 2-(2-benzylsulfanylpropyl)-6-chloropyrimidin-4-amine?
The canonical SMILES for 2-(2-benzylsulfanylpropyl)-6-chloropyrimidin-4-amine is CC(Cc1nc(N)cc(Cl)n1)SCc1ccccc1.
What is the InChIKey of 2-(2-benzylsulfanylpropyl)-6-chloropyrimidin-4-amine?
The InChIKey is UUGRJGGUCZWMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c1-10(19-9-11-5-3-2-4-6-11)7-14-17-12(15)8-13(16)18-14/h2-6,8,10H,7,9H2,1H3,(H2,16,17,18).
What are the key properties of 2-(2-benzylsulfanylpropyl)-6-chloropyrimidin-4-amine?
2-(2-benzylsulfanylpropyl)-6-chloropyrimidin-4-amine has a molecular weight of 293.82 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylsulfanylpropyl)-6-chloropyrimidin-4-amine is sourced from PubChem (CID 57373782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).