4-N-(2,4-dimethylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

C14H18N4S — CID 80761115

IUPAC4-N-(2,4-dimethylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc(C)cc2C)nc(SC)n1
InChIInChI=1S/C14H18N4S/c1-9-5-6-11(10(2)7-9)16-13-8-12(15-3)17-14(18-13)19-4/h5-8H,1-4H3,(H2,15,16,17,18)
InChIKeyJMALVRGORIZHHJ-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.60
Rot. Bonds4

About 4-N-(2,4-dimethylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

4-N-(2,4-dimethylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80761115) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-N-(2,4-dimethylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80761115
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name4-N-(2,4-dimethylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc(C)cc2C)nc(SC)n1
InChIInChI=1S/C14H18N4S/c1-9-5-6-11(10(2)7-9)16-13-8-12(15-3)17-14(18-13)19-4/h5-8H,1-4H3,(H2,15,16,17,18)
InChIKeyJMALVRGORIZHHJ-UHFFFAOYSA-N
XLogP3.60
TPSA49.84 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 ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,4-dimethylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (CID 80761115) is 4-N-(2,4-dimethylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,4-dimethylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,4-dimethylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is CNc1cc(Nc2ccc(C)cc2C)nc(SC)n1.
What is the InChIKey of 4-N-(2,4-dimethylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is JMALVRGORIZHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-9-5-6-11(10(2)7-9)16-13-8-12(15-3)17-14(18-13)19-4/h5-8H,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2,4-dimethylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-(2,4-dimethylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 274.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80761115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).