1-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine

C15H19N3OS — CID 62267854

IUPAC1-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine
SMILESCOc1ccc(C(Sc2nccc(C)n2)C(C)N)cc1
InChIInChI=1S/C15H19N3OS/c1-10-8-9-17-15(18-10)20-14(11(2)16)12-4-6-13(19-3)7-5-12/h4-9,11,14H,16H2,1-3H3
InChIKeyGJLGRZXZTNHBOV-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.97
Rot. Bonds5

About 1-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine

1-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine (PubChem CID 62267854) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine
PubChem CID62267854
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine
SMILESCOc1ccc(C(Sc2nccc(C)n2)C(C)N)cc1
InChIInChI=1S/C15H19N3OS/c1-10-8-9-17-15(18-10)20-14(11(2)16)12-4-6-13(19-3)7-5-12/h4-9,11,14H,16H2,1-3H3
InChIKeyGJLGRZXZTNHBOV-UHFFFAOYSA-N
XLogP2.97
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-yl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 62267140
1-(4-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine
CID 55052965
1-(4-methoxyphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017416
(2S)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 104889205
2-(4-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 62269446
4-methoxy-2-(4-methylpyrimidin-2-yl)sulfanylbenzonitrile
CID 81303148
3-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-1-phenylbutan-1-amine
CID 64632096
2-[bis(4-chlorophenyl)methylsulfanyl]-4-methylpyrimidine
CID 1006358
3-(4-methoxyphenyl)butan-2-amine
CID 54524041
2-(4-methylpyrimidin-2-yl)sulfanylbutan-1-amine
CID 62269447
1-(4-methoxyphenyl)-1-(2-methylbutylsulfanyl)propan-2-amine
CID 107749022
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 64632910

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine (CID 62267854) is 1-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine is COc1ccc(C(Sc2nccc(C)n2)C(C)N)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine?
The InChIKey is GJLGRZXZTNHBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10-8-9-17-15(18-10)20-14(11(2)16)12-4-6-13(19-3)7-5-12/h4-9,11,14H,16H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine?
1-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine has a molecular weight of 289.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine is sourced from PubChem (CID 62267854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).