3-[2-(ethylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine

C16H29N3S — CID 65293824

IUPAC3-[2-(ethylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCCSCc1nc(C)c(CC(C)CNC(C)C)c(C)n1
InChIInChI=1S/C16H29N3S/c1-7-20-10-16-18-13(5)15(14(6)19-16)8-12(4)9-17-11(2)3/h11-12,17H,7-10H2,1-6H3
InChIKeyMVXYYUUCFMXRLH-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.52
Rot. Bonds8

About 3-[2-(ethylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine

3-[2-(ethylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 65293824) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 3-[2-(ethylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(ethylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID65293824
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name3-[2-(ethylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCCSCc1nc(C)c(CC(C)CNC(C)C)c(C)n1
InChIInChI=1S/C16H29N3S/c1-7-20-10-16-18-13(5)15(14(6)19-16)8-12(4)9-17-11(2)3/h11-12,17H,7-10H2,1-6H3
InChIKeyMVXYYUUCFMXRLH-UHFFFAOYSA-N
XLogP3.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[2-(ethylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine (CID 65293824) is 3-[2-(ethylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[2-(ethylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[2-(ethylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine is CCSCc1nc(C)c(CC(C)CNC(C)C)c(C)n1.
What is the InChIKey of 3-[2-(ethylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is MVXYYUUCFMXRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-7-20-10-16-18-13(5)15(14(6)19-16)8-12(4)9-17-11(2)3/h11-12,17H,7-10H2,1-6H3.
What are the key properties of 3-[2-(ethylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine?
3-[2-(ethylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 295.50 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 65293824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).