4-N-[3-(dimethylamino)-4-methylphenyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

C15H21N5S — CID 115379720

IUPAC4-N-[3-(dimethylamino)-4-methylphenyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc(C)c(N(C)C)c2)nc(SC)n1
InChIInChI=1S/C15H21N5S/c1-10-6-7-11(8-12(10)20(3)4)17-14-9-13(16-2)18-15(19-14)21-5/h6-9H,1-5H3,(H2,16,17,18,19)
InChIKeyUTQQNIXKOCVFES-UHFFFAOYSA-N
MW303.44 g/mol
LogP3.36
Rot. Bonds5

About 4-N-[3-(dimethylamino)-4-methylphenyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

4-N-[3-(dimethylamino)-4-methylphenyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 115379720) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)-4-methylphenyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)-4-methylphenyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID115379720
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name4-N-[3-(dimethylamino)-4-methylphenyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc(C)c(N(C)C)c2)nc(SC)n1
InChIInChI=1S/C15H21N5S/c1-10-6-7-11(8-12(10)20(3)4)17-14-9-13(16-2)18-15(19-14)21-5/h6-9H,1-5H3,(H2,16,17,18,19)
InChIKeyUTQQNIXKOCVFES-UHFFFAOYSA-N
XLogP3.36
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)-4-methylphenyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)-4-methylphenyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (CID 115379720) is 4-N-[3-(dimethylamino)-4-methylphenyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)-4-methylphenyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)-4-methylphenyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is CNc1cc(Nc2ccc(C)c(N(C)C)c2)nc(SC)n1.
What is the InChIKey of 4-N-[3-(dimethylamino)-4-methylphenyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is UTQQNIXKOCVFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-10-6-7-11(8-12(10)20(3)4)17-14-9-13(16-2)18-15(19-14)21-5/h6-9H,1-5H3,(H2,16,17,18,19).
What are the key properties of 4-N-[3-(dimethylamino)-4-methylphenyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-[3-(dimethylamino)-4-methylphenyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 303.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)-4-methylphenyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 115379720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).