2-chloro-6-phenylsulfanylpyrimidin-4-amine

C10H8ClN3S — CID 138115446

IUPAC2-chloro-6-phenylsulfanylpyrimidin-4-amine
SMILESNc1cc(Sc2ccccc2)nc(Cl)n1
InChIInChI=1S/C10H8ClN3S/c11-10-13-8(12)6-9(14-10)15-7-4-2-1-3-5-7/h1-6H,(H2,12,13,14)
InChIKeyTUTROBNBGVHUPV-UHFFFAOYSA-N
MW237.72 g/mol
LogP2.86
Rot. Bonds2

About 2-chloro-6-phenylsulfanylpyrimidin-4-amine

2-chloro-6-phenylsulfanylpyrimidin-4-amine (PubChem CID 138115446) has the molecular formula C10H8ClN3S and a molecular weight of 237.72 g/mol. Its IUPAC name is 2-chloro-6-phenylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-phenylsulfanylpyrimidin-4-amine
PubChem CID138115446
Molecular FormulaC10H8ClN3S
Molecular Weight237.72 g/mol
Exact Mass237.01
IUPAC Name2-chloro-6-phenylsulfanylpyrimidin-4-amine
SMILESNc1cc(Sc2ccccc2)nc(Cl)n1
InChIInChI=1S/C10H8ClN3S/c11-10-13-8(12)6-9(14-10)15-7-4-2-1-3-5-7/h1-6H,(H2,12,13,14)
InChIKeyTUTROBNBGVHUPV-UHFFFAOYSA-N
XLogP2.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.72
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-phenylsulfanylpyrimidin-4-amine?
The IUPAC name of 2-chloro-6-phenylsulfanylpyrimidin-4-amine (CID 138115446) is 2-chloro-6-phenylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-phenylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-phenylsulfanylpyrimidin-4-amine is Nc1cc(Sc2ccccc2)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-phenylsulfanylpyrimidin-4-amine?
The InChIKey is TUTROBNBGVHUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3S/c11-10-13-8(12)6-9(14-10)15-7-4-2-1-3-5-7/h1-6H,(H2,12,13,14).
What are the key properties of 2-chloro-6-phenylsulfanylpyrimidin-4-amine?
2-chloro-6-phenylsulfanylpyrimidin-4-amine has a molecular weight of 237.72 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-phenylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 138115446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).