N-[[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine

C15H27N3S — CID 65141350

IUPACN-[[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCCC(C)SCc1nc(C)c(CNC(C)C)c(C)n1
InChIInChI=1S/C15H27N3S/c1-7-11(4)19-9-15-17-12(5)14(13(6)18-15)8-16-10(2)3/h10-11,16H,7-9H2,1-6H3
InChIKeyGHPBSQDSESDKBF-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.62
Rot. Bonds7

About N-[[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine

N-[[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 65141350) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-[[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
PubChem CID65141350
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-[[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCCC(C)SCc1nc(C)c(CNC(C)C)c(C)n1
InChIInChI=1S/C15H27N3S/c1-7-11(4)19-9-15-17-12(5)14(13(6)18-15)8-16-10(2)3/h10-11,16H,7-9H2,1-6H3
InChIKeyGHPBSQDSESDKBF-UHFFFAOYSA-N
XLogP3.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine (CID 65141350) is N-[[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine is CCC(C)SCc1nc(C)c(CNC(C)C)c(C)n1.
What is the InChIKey of N-[[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is GHPBSQDSESDKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-7-11(4)19-9-15-17-12(5)14(13(6)18-15)8-16-10(2)3/h10-11,16H,7-9H2,1-6H3.
What are the key properties of N-[[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine?
N-[[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 281.47 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 65141350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).