4,6-dimethyl-N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]pyrimidin-2-amine

C16H20N4S — CID 141039400

IUPAC4,6-dimethyl-N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]pyrimidin-2-amine
SMILESCSCC(=NNc1nc(C)cc(C)n1)c1ccc(C)cc1
InChIInChI=1S/C16H20N4S/c1-11-5-7-14(8-6-11)15(10-21-4)19-20-16-17-12(2)9-13(3)18-16/h5-9H,10H2,1-4H3,(H,17,18,20)
InChIKeyIIQOFJUHRZBOGO-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.58
Rot. Bonds5

About 4,6-dimethyl-N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]pyrimidin-2-amine

4,6-dimethyl-N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]pyrimidin-2-amine (PubChem CID 141039400) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4,6-dimethyl-N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]pyrimidin-2-amine
PubChem CID141039400
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name4,6-dimethyl-N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]pyrimidin-2-amine
SMILESCSCC(=NNc1nc(C)cc(C)n1)c1ccc(C)cc1
InChIInChI=1S/C16H20N4S/c1-11-5-7-14(8-6-11)15(10-21-4)19-20-16-17-12(2)9-13(3)18-16/h5-9H,10H2,1-4H3,(H,17,18,20)
InChIKeyIIQOFJUHRZBOGO-UHFFFAOYSA-N
XLogP3.58
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]benzamide
CID 86037517
4-[(E)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 135775097
[[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylethylidene]amino]urea
CID 912143
[(E)-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylethylidene]amino]thiourea
CID 6340889
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013557
4,6-dimethyl-N-(1-naphthalen-2-ylethylideneamino)pyrimidin-2-amine
CID 3695756
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-methyl-1-phenylbutylidene)amino]acetamide
CID 42996066
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135922797
N-[2-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 2334192
N-[1-(4-methylphenyl)propylidene]hydroxylamine
CID 7174004
N-[1-(4-cyclohexylphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 4318963

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]pyrimidin-2-amine (CID 141039400) is 4,6-dimethyl-N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]pyrimidin-2-amine is CSCC(=NNc1nc(C)cc(C)n1)c1ccc(C)cc1.
What is the InChIKey of 4,6-dimethyl-N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]pyrimidin-2-amine?
The InChIKey is IIQOFJUHRZBOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-11-5-7-14(8-6-11)15(10-21-4)19-20-16-17-12(2)9-13(3)18-16/h5-9H,10H2,1-4H3,(H,17,18,20).
What are the key properties of 4,6-dimethyl-N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]pyrimidin-2-amine?
4,6-dimethyl-N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]pyrimidin-2-amine has a molecular weight of 300.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]pyrimidin-2-amine is sourced from PubChem (CID 141039400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).