1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine

C15H19N3S — CID 55238730

IUPAC1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine
SMILESCc1cc(C)nc(Sc2ccccc2CC(C)N)n1
InChIInChI=1S/C15H19N3S/c1-10(16)8-13-6-4-5-7-14(13)19-15-17-11(2)9-12(3)18-15/h4-7,9-10H,8,16H2,1-3H3
InChIKeyQPCWKRPSAMWRHL-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.13
Rot. Bonds4

About 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine

1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine (PubChem CID 55238730) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine
PubChem CID55238730
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine
SMILESCc1cc(C)nc(Sc2ccccc2CC(C)N)n1
InChIInChI=1S/C15H19N3S/c1-10(16)8-13-6-4-5-7-14(13)19-15-17-11(2)9-12(3)18-15/h4-7,9-10H,8,16H2,1-3H3
InChIKeyQPCWKRPSAMWRHL-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

N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]propan-1-amine
CID 63809843
1-[2-(3,4-difluorophenyl)sulfanylphenyl]propan-2-amine
CID 63818458
N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine
CID 63807198
1-[2-(2-methylfuran-3-yl)sulfanylphenyl]propan-2-amine
CID 107783655
(2R)-1-(2-benzylsulfanylphenyl)propan-2-amine
CID 124557626
[2-(2-fluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
CID 107552247
[2-[(2S)-2-aminopropyl]phenyl]methanol
CID 130643067
(2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide;hydrochloride
CID 119276811
(1S)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]ethanamine
CID 78938915
1-[5-bromo-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanamine
CID 82969994
2-[2-(2-aminopropyl)-6-fluorophenyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 136730622
1-[2-chloro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine
CID 65040999

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine?
The IUPAC name of 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine (CID 55238730) is 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine?
The canonical SMILES for 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine is Cc1cc(C)nc(Sc2ccccc2CC(C)N)n1.
What is the InChIKey of 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine?
The InChIKey is QPCWKRPSAMWRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10(16)8-13-6-4-5-7-14(13)19-15-17-11(2)9-12(3)18-15/h4-7,9-10H,8,16H2,1-3H3.
What are the key properties of 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine?
1-[2-(4,6-dimethylpyrimidin-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-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine is sourced from PubChem (CID 55238730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).