4-chloro-6-phenylsulfanylpyrimidin-5-amine

C10H8ClN3S — CID 11637278

IUPAC4-chloro-6-phenylsulfanylpyrimidin-5-amine
SMILESNc1c(Cl)ncnc1Sc1ccccc1
InChIInChI=1S/C10H8ClN3S/c11-9-8(12)10(14-6-13-9)15-7-4-2-1-3-5-7/h1-6H,12H2
InChIKeyOMWOAEVJWJWDAE-UHFFFAOYSA-N
MW237.72 g/mol
LogP2.86
Rot. Bonds2

About 4-chloro-6-phenylsulfanylpyrimidin-5-amine

4-chloro-6-phenylsulfanylpyrimidin-5-amine (PubChem CID 11637278) has the molecular formula C10H8ClN3S and a molecular weight of 237.72 g/mol. Its IUPAC name is 4-chloro-6-phenylsulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-phenylsulfanylpyrimidin-5-amine
PubChem CID11637278
Molecular FormulaC10H8ClN3S
Molecular Weight237.72 g/mol
Exact Mass237.01
IUPAC Name4-chloro-6-phenylsulfanylpyrimidin-5-amine
SMILESNc1c(Cl)ncnc1Sc1ccccc1
InChIInChI=1S/C10H8ClN3S/c11-9-8(12)10(14-6-13-9)15-7-4-2-1-3-5-7/h1-6H,12H2
InChIKeyOMWOAEVJWJWDAE-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 4-chloro-6-phenylsulfanylpyrimidin-5-amine?
The IUPAC name of 4-chloro-6-phenylsulfanylpyrimidin-5-amine (CID 11637278) is 4-chloro-6-phenylsulfanylpyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-phenylsulfanylpyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-phenylsulfanylpyrimidin-5-amine is Nc1c(Cl)ncnc1Sc1ccccc1.
What is the InChIKey of 4-chloro-6-phenylsulfanylpyrimidin-5-amine?
The InChIKey is OMWOAEVJWJWDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3S/c11-9-8(12)10(14-6-13-9)15-7-4-2-1-3-5-7/h1-6H,12H2.
What are the key properties of 4-chloro-6-phenylsulfanylpyrimidin-5-amine?
4-chloro-6-phenylsulfanylpyrimidin-5-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 4-chloro-6-phenylsulfanylpyrimidin-5-amine is sourced from PubChem (CID 11637278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).