4-amino-6-(4-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile

C13H12N4OS — CID 6487045

IUPAC4-amino-6-(4-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile
SMILESCOc1ccc(-c2nc(SC)nc(N)c2C#N)cc1
InChIInChI=1S/C13H12N4OS/c1-18-9-5-3-8(4-6-9)11-10(7-14)12(15)17-13(16-11)19-2/h3-6H,1-2H3,(H2,15,16,17)
InChIKeyJYLIZLLSDDKHOI-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.33
Rot. Bonds3

About 4-amino-6-(4-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile

4-amino-6-(4-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 6487045) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-amino-6-(4-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-(4-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID6487045
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name4-amino-6-(4-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile
SMILESCOc1ccc(-c2nc(SC)nc(N)c2C#N)cc1
InChIInChI=1S/C13H12N4OS/c1-18-9-5-3-8(4-6-9)11-10(7-14)12(15)17-13(16-11)19-2/h3-6H,1-2H3,(H2,15,16,17)
InChIKeyJYLIZLLSDDKHOI-UHFFFAOYSA-N
XLogP2.33
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-6-(4-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 13926986
6-(4-Methoxyphenyl)pyrimidine-2,4-diamine
CID 2808121
2-Amino-4-(m-methoxyphenyl)-6-(methylthio)-pyrimidine-5-carbonitrile
CID 2819137
4-(4-Methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 12293992
6-(4-Methoxyphenyl)-N~4~-Octylpyrimidine-2,4-Diamine
CID 75815438
6-Ethyl-5-(3-methoxy-phenyl)-pyrimidine-2,4-diamine
CID 10466996
2-Hydrazinyl-6-(4-methoxyphenyl)pyrimidine-4-carbonitrile
CID 1414694
4-Chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile
CID 1480507
4-(4-Methoxyphenyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
CID 4054690
4,6-Bis(4-methoxyphenyl)pyrimidin-2-amine
CID 21812434
4-(4-Methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 2823326
5-(Aminomethyl)-6-(4-methoxyphenyl)-2-phenylpyrimidin-4-amine
CID 10236556

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-(4-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile (CID 6487045) is 4-amino-6-(4-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-(4-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-(4-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile is COc1ccc(-c2nc(SC)nc(N)c2C#N)cc1.
What is the InChIKey of 4-amino-6-(4-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is JYLIZLLSDDKHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-18-9-5-3-8(4-6-9)11-10(7-14)12(15)17-13(16-11)19-2/h3-6H,1-2H3,(H2,15,16,17).
What are the key properties of 4-amino-6-(4-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile?
4-amino-6-(4-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 272.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 6487045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).