N-[(2-butan-2-ylsulfanylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine

C13H23N3S — CID 113388634

IUPACN-[(2-butan-2-ylsulfanylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine
SMILESCCC(C)Sc1ncc(CNC(C)(C)C)cn1
InChIInChI=1S/C13H23N3S/c1-6-10(2)17-12-14-7-11(8-15-12)9-16-13(3,4)5/h7-8,10,16H,6,9H2,1-5H3
InChIKeyZRRJWNSDQMBUPP-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.26
Rot. Bonds5

About N-[(2-butan-2-ylsulfanylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine

N-[(2-butan-2-ylsulfanylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine (PubChem CID 113388634) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[(2-butan-2-ylsulfanylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-butan-2-ylsulfanylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine
PubChem CID113388634
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[(2-butan-2-ylsulfanylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine
SMILESCCC(C)Sc1ncc(CNC(C)(C)C)cn1
InChIInChI=1S/C13H23N3S/c1-6-10(2)17-12-14-7-11(8-15-12)9-16-13(3,4)5/h7-8,10,16H,6,9H2,1-5H3
InChIKeyZRRJWNSDQMBUPP-UHFFFAOYSA-N
XLogP3.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.26
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-ylsulfanylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-butan-2-ylsulfanylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine (CID 113388634) is N-[(2-butan-2-ylsulfanylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-butan-2-ylsulfanylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-butan-2-ylsulfanylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine is CCC(C)Sc1ncc(CNC(C)(C)C)cn1.
What is the InChIKey of N-[(2-butan-2-ylsulfanylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is ZRRJWNSDQMBUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-6-10(2)17-12-14-7-11(8-15-12)9-16-13(3,4)5/h7-8,10,16H,6,9H2,1-5H3.
What are the key properties of N-[(2-butan-2-ylsulfanylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine?
N-[(2-butan-2-ylsulfanylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butan-2-ylsulfanylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 113388634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).