5-methyl-6-(4-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine

C15H19N3S — CID 80991093

IUPAC5-methyl-6-(4-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1ccc(Sc2nc(C(C)C)nc(N)c2C)cc1
InChIInChI=1S/C15H19N3S/c1-9(2)14-17-13(16)11(4)15(18-14)19-12-7-5-10(3)6-8-12/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyBDBSMLCKJOSUKF-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.95
Rot. Bonds3

About 5-methyl-6-(4-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine

5-methyl-6-(4-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80991093) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 5-methyl-6-(4-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-(4-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80991093
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name5-methyl-6-(4-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1ccc(Sc2nc(C(C)C)nc(N)c2C)cc1
InChIInChI=1S/C15H19N3S/c1-9(2)14-17-13(16)11(4)15(18-14)19-12-7-5-10(3)6-8-12/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyBDBSMLCKJOSUKF-UHFFFAOYSA-N
XLogP3.95
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80995276
5-methyl-2-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80989981
[6-(4-bromophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81000328
6-butan-2-ylsulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80991295
(5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80996244
2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylethanol
CID 80989787
4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80981052
5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 80978774
6-(4-bromophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80977211
N,5-dimethyl-6-(3-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80991106
2-tert-butyl-6-(4-methoxyphenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80991175
6-(4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80974618

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(4-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-methyl-6-(4-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine (CID 80991093) is 5-methyl-6-(4-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-(4-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-(4-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine is Cc1ccc(Sc2nc(C(C)C)nc(N)c2C)cc1.
What is the InChIKey of 5-methyl-6-(4-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is BDBSMLCKJOSUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-9(2)14-17-13(16)11(4)15(18-14)19-12-7-5-10(3)6-8-12/h5-9H,1-4H3,(H2,16,17,18).
What are the key properties of 5-methyl-6-(4-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine?
5-methyl-6-(4-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 273.40 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(4-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80991093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).