1-(3-methylphenyl)-1-pyrimidin-4-ylsulfanylpropan-2-amine

C14H17N3S — CID 55232465

IUPAC1-(3-methylphenyl)-1-pyrimidin-4-ylsulfanylpropan-2-amine
SMILESCc1cccc(C(Sc2ccncn2)C(C)N)c1
InChIInChI=1S/C14H17N3S/c1-10-4-3-5-12(8-10)14(11(2)15)18-13-6-7-16-9-17-13/h3-9,11,14H,15H2,1-2H3
InChIKeySSSBGRSGIXUKPX-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.97
Rot. Bonds4

About 1-(3-methylphenyl)-1-pyrimidin-4-ylsulfanylpropan-2-amine

1-(3-methylphenyl)-1-pyrimidin-4-ylsulfanylpropan-2-amine (PubChem CID 55232465) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 1-(3-methylphenyl)-1-pyrimidin-4-ylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(3-methylphenyl)-1-pyrimidin-4-ylsulfanylpropan-2-amine
PubChem CID55232465
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name1-(3-methylphenyl)-1-pyrimidin-4-ylsulfanylpropan-2-amine
SMILESCc1cccc(C(Sc2ccncn2)C(C)N)c1
InChIInChI=1S/C14H17N3S/c1-10-4-3-5-12(8-10)14(11(2)15)18-13-6-7-16-9-17-13/h3-9,11,14H,15H2,1-2H3
InChIKeySSSBGRSGIXUKPX-UHFFFAOYSA-N
XLogP2.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine
CID 55020772
1-(3-methylphenyl)-1-phenylsulfanylpropan-2-amine
CID 55020378
1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine
CID 62645584
1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(3-methylphenyl)propan-2-amine
CID 106922262
1-(3-methylphenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine
CID 63380747
1-(3-methylphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017009
1-pyrimidin-4-ylsulfanylethanol
CID 54459485
1-(3-methylphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 62849104
1-(4-fluorophenyl)-1-pyridin-2-ylsulfanylpropan-2-amine
CID 55014840
2-(3-bromophenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 55225543
1-pyrazin-2-ylsulfanyl-1-pyridin-4-ylpropan-2-amine
CID 63380473
1-phenyl-2-pyrimidin-4-ylsulfanylpropan-1-one
CID 63698537

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-1-pyrimidin-4-ylsulfanylpropan-2-amine?
The IUPAC name of 1-(3-methylphenyl)-1-pyrimidin-4-ylsulfanylpropan-2-amine (CID 55232465) is 1-(3-methylphenyl)-1-pyrimidin-4-ylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(3-methylphenyl)-1-pyrimidin-4-ylsulfanylpropan-2-amine?
The canonical SMILES for 1-(3-methylphenyl)-1-pyrimidin-4-ylsulfanylpropan-2-amine is Cc1cccc(C(Sc2ccncn2)C(C)N)c1.
What is the InChIKey of 1-(3-methylphenyl)-1-pyrimidin-4-ylsulfanylpropan-2-amine?
The InChIKey is SSSBGRSGIXUKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-10-4-3-5-12(8-10)14(11(2)15)18-13-6-7-16-9-17-13/h3-9,11,14H,15H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-1-pyrimidin-4-ylsulfanylpropan-2-amine?
1-(3-methylphenyl)-1-pyrimidin-4-ylsulfanylpropan-2-amine has a molecular weight of 259.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-1-pyrimidin-4-ylsulfanylpropan-2-amine is sourced from PubChem (CID 55232465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).