1-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine

C15H19N3S — CID 55259629

IUPAC1-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine
SMILESCc1cnc(Sc2ccc(CC(C)N)c(C)c2)nc1
InChIInChI=1S/C15H19N3S/c1-10-8-17-15(18-9-10)19-14-5-4-13(7-12(3)16)11(2)6-14/h4-6,8-9,12H,7,16H2,1-3H3
InChIKeyWRCKGICELHZLAI-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.13
Rot. Bonds4

About 1-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine

1-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine (PubChem CID 55259629) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is 1-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine
PubChem CID55259629
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name1-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine
SMILESCc1cnc(Sc2ccc(CC(C)N)c(C)c2)nc1
InChIInChI=1S/C15H19N3S/c1-10-8-17-15(18-9-10)19-14-5-4-13(7-12(3)16)11(2)6-14/h4-6,8-9,12H,7,16H2,1-3H3
InChIKeyWRCKGICELHZLAI-UHFFFAOYSA-N
XLogP3.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine
CID 63818905
1-[4-(4-bromophenyl)sulfanyl-2-methylphenyl]propan-2-amine
CID 55238926
1-[2-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]propan-2-amine
CID 63818212
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
3-[4-(2-aminopropyl)-3-methylphenyl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 63818493
1-[4-(1,3-benzoxazol-2-ylsulfanyl)-2-methylphenyl]propan-2-amine
CID 63818440
1-[2-methyl-4-[(3-methylphenyl)methylsulfanyl]phenyl]propan-2-amine
CID 63819534
1-[2-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]butan-2-amine
CID 63819970
1-(2-methyl-4-pyridin-2-ylsulfanylphenyl)butan-2-amine
CID 55239873
4-(2-aminopropyl)-N,3-dimethylaniline
CID 10035180
1-[5-fluoro-2-(4-methylphenyl)sulfanylphenyl]propan-2-amine
CID 63818759
1-[2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]butan-2-amine
CID 63819439

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine?
The IUPAC name of 1-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine (CID 55259629) is 1-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine?
The canonical SMILES for 1-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine is Cc1cnc(Sc2ccc(CC(C)N)c(C)c2)nc1.
What is the InChIKey of 1-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine?
The InChIKey is WRCKGICELHZLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10-8-17-15(18-9-10)19-14-5-4-13(7-12(3)16)11(2)6-14/h4-6,8-9,12H,7,16H2,1-3H3.
What are the key properties of 1-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine?
1-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine has a molecular weight of 273.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine is sourced from PubChem (CID 55259629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).