4-N-(3,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4,6-diamine

C14H18N4S — CID 53214493

IUPAC4-N-(3,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4,6-diamine
SMILESCCSc1nc(N)cc(Nc2cc(C)cc(C)c2)n1
InChIInChI=1S/C14H18N4S/c1-4-19-14-17-12(15)8-13(18-14)16-11-6-9(2)5-10(3)7-11/h5-8H,4H2,1-3H3,(H3,15,16,17,18)
InChIKeyIGLXETLXCAAQJB-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.53
Rot. Bonds4

About 4-N-(3,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4,6-diamine

4-N-(3,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4,6-diamine (PubChem CID 53214493) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4,6-diamine
PubChem CID53214493
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name4-N-(3,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4,6-diamine
SMILESCCSc1nc(N)cc(Nc2cc(C)cc(C)c2)n1
InChIInChI=1S/C14H18N4S/c1-4-19-14-17-12(15)8-13(18-14)16-11-6-9(2)5-10(3)7-11/h5-8H,4H2,1-3H3,(H3,15,16,17,18)
InChIKeyIGLXETLXCAAQJB-UHFFFAOYSA-N
XLogP3.53
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4,6-diamine (CID 53214493) is 4-N-(3,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4,6-diamine is CCSc1nc(N)cc(Nc2cc(C)cc(C)c2)n1.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4,6-diamine?
The InChIKey is IGLXETLXCAAQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-4-19-14-17-12(15)8-13(18-14)16-11-6-9(2)5-10(3)7-11/h5-8H,4H2,1-3H3,(H3,15,16,17,18).
What are the key properties of 4-N-(3,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4,6-diamine?
4-N-(3,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4,6-diamine has a molecular weight of 274.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 53214493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).