5-(4-chlorophenyl)-6-ethyl-2-ethylsulfanylpyrimidin-4-amine

C14H16ClN3S — CID 24670027

IUPAC5-(4-chlorophenyl)-6-ethyl-2-ethylsulfanylpyrimidin-4-amine
SMILESCCSc1nc(N)c(-c2ccc(Cl)cc2)c(CC)n1
InChIInChI=1S/C14H16ClN3S/c1-3-11-12(9-5-7-10(15)8-6-9)13(16)18-14(17-11)19-4-2/h5-8H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyBABFWRVBOQCKMA-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.05
Rot. Bonds4

About 5-(4-chlorophenyl)-6-ethyl-2-ethylsulfanylpyrimidin-4-amine

5-(4-chlorophenyl)-6-ethyl-2-ethylsulfanylpyrimidin-4-amine (PubChem CID 24670027) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-ethyl-2-ethylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-ethyl-2-ethylsulfanylpyrimidin-4-amine
PubChem CID24670027
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name5-(4-chlorophenyl)-6-ethyl-2-ethylsulfanylpyrimidin-4-amine
SMILESCCSc1nc(N)c(-c2ccc(Cl)cc2)c(CC)n1
InChIInChI=1S/C14H16ClN3S/c1-3-11-12(9-5-7-10(15)8-6-9)13(16)18-14(17-11)19-4-2/h5-8H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyBABFWRVBOQCKMA-UHFFFAOYSA-N
XLogP4.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-ethyl-2-ethylsulfanylpyrimidin-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-6-ethyl-2-ethylsulfanylpyrimidin-4-amine (CID 24670027) is 5-(4-chlorophenyl)-6-ethyl-2-ethylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-6-ethyl-2-ethylsulfanylpyrimidin-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-6-ethyl-2-ethylsulfanylpyrimidin-4-amine is CCSc1nc(N)c(-c2ccc(Cl)cc2)c(CC)n1.
What is the InChIKey of 5-(4-chlorophenyl)-6-ethyl-2-ethylsulfanylpyrimidin-4-amine?
The InChIKey is BABFWRVBOQCKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c1-3-11-12(9-5-7-10(15)8-6-9)13(16)18-14(17-11)19-4-2/h5-8H,3-4H2,1-2H3,(H2,16,17,18).
What are the key properties of 5-(4-chlorophenyl)-6-ethyl-2-ethylsulfanylpyrimidin-4-amine?
5-(4-chlorophenyl)-6-ethyl-2-ethylsulfanylpyrimidin-4-amine has a molecular weight of 293.82 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-ethyl-2-ethylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 24670027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).