N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-2-methylbutan-2-amine

C14H25N3S — CID 55092196

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCC(C)Sc1nc(C)cc(C)n1
InChIInChI=1S/C14H25N3S/c1-7-14(5,6)15-9-12(4)18-13-16-10(2)8-11(3)17-13/h8,12,15H,7,9H2,1-6H3
InChIKeyAFPBNEDAFCQGDK-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.35
Rot. Bonds6

About N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-2-methylbutan-2-amine

N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-2-methylbutan-2-amine (PubChem CID 55092196) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-2-methylbutan-2-amine
PubChem CID55092196
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCC(C)Sc1nc(C)cc(C)n1
InChIInChI=1S/C14H25N3S/c1-7-14(5,6)15-9-12(4)18-13-16-10(2)8-11(3)17-13/h8,12,15H,7,9H2,1-6H3
InChIKeyAFPBNEDAFCQGDK-UHFFFAOYSA-N
XLogP3.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-2-methylbutan-2-amine?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-2-methylbutan-2-amine (CID 55092196) is N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-2-methylbutan-2-amine is CCC(C)(C)NCC(C)Sc1nc(C)cc(C)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-2-methylbutan-2-amine?
The InChIKey is AFPBNEDAFCQGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-7-14(5,6)15-9-12(4)18-13-16-10(2)8-11(3)17-13/h8,12,15H,7,9H2,1-6H3.
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-2-methylbutan-2-amine?
N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-2-methylbutan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-2-methylbutan-2-amine is sourced from PubChem (CID 55092196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).