6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine

C16H19N3S — CID 684377

IUPAC6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine
SMILESC=CCc1c(C)nc(SC)nc1Nc1ccc(C)cc1
InChIInChI=1S/C16H19N3S/c1-5-6-14-12(3)17-16(20-4)19-15(14)18-13-9-7-11(2)8-10-13/h5,7-10H,1,6H2,2-4H3,(H,17,18,19)
InChIKeyRCYQOVZSENVUQP-UHFFFAOYSA-N
MW285.42 g/mol
LogP4.29
Rot. Bonds5

About 6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine

6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine (PubChem CID 684377) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine
PubChem CID684377
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine
SMILESC=CCc1c(C)nc(SC)nc1Nc1ccc(C)cc1
InChIInChI=1S/C16H19N3S/c1-5-6-14-12(3)17-16(20-4)19-15(14)18-13-9-7-11(2)8-10-13/h5,7-10H,1,6H2,2-4H3,(H,17,18,19)
InChIKeyRCYQOVZSENVUQP-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine (CID 684377) is 6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine is C=CCc1c(C)nc(SC)nc1Nc1ccc(C)cc1.
What is the InChIKey of 6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine?
The InChIKey is RCYQOVZSENVUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-5-6-14-12(3)17-16(20-4)19-15(14)18-13-9-7-11(2)8-10-13/h5,7-10H,1,6H2,2-4H3,(H,17,18,19).
What are the key properties of 6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine?
6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine has a molecular weight of 285.42 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine is sourced from PubChem (CID 684377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).