2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine

C15H19N3S — CID 64634885

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine
SMILESCc1cc(C)nc(SC(C)C(N)c2ccccc2)n1
InChIInChI=1S/C15H19N3S/c1-10-9-11(2)18-15(17-10)19-12(3)14(16)13-7-5-4-6-8-13/h4-9,12,14H,16H2,1-3H3
InChIKeyBVZWEIQWKBNHIP-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.27
Rot. Bonds4

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine (PubChem CID 64634885) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine
PubChem CID64634885
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine
SMILESCc1cc(C)nc(SC(C)C(N)c2ccccc2)n1
InChIInChI=1S/C15H19N3S/c1-10-9-11(2)18-15(17-10)19-12(3)14(16)13-7-5-4-6-8-13/h4-9,12,14H,16H2,1-3H3
InChIKeyBVZWEIQWKBNHIP-UHFFFAOYSA-N
XLogP3.27
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine
CID 64633110
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1-phenylpropan-1-amine
CID 64633701
2-(5-methylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine
CID 64628806
3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine
CID 64632124
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid
CID 735994
2-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanyl-4,6-dimethylpyrimidine
CID 4604269
3-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-1-phenylbutan-1-amine
CID 64632096
2-(2-bromophenyl)sulfanyl-1-phenylpropan-1-amine
CID 64612670
2-(2-fluorophenyl)sulfanyl-1-phenylpropan-1-amine
CID 64622029
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide
CID 51190687
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide
CID 976741
1-(4-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine
CID 64625731

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine (CID 64634885) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine is Cc1cc(C)nc(SC(C)C(N)c2ccccc2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine?
The InChIKey is BVZWEIQWKBNHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10-9-11(2)18-15(17-10)19-12(3)14(16)13-7-5-4-6-8-13/h4-9,12,14H,16H2,1-3H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine has a molecular weight of 273.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine is sourced from PubChem (CID 64634885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).