N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-methylbutan-2-amine

C13H23N3 — CID 115919204

IUPACN-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NC(C)c1cnc(C)nc1C
InChIInChI=1S/C13H23N3/c1-7-13(5,6)16-10(3)12-8-14-11(4)15-9(12)2/h8,10,16H,7H2,1-6H3
InChIKeyAPGBKCUBIMNCLN-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.93
Rot. Bonds4

About N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-methylbutan-2-amine

N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-methylbutan-2-amine (PubChem CID 115919204) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-methylbutan-2-amine
PubChem CID115919204
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NC(C)c1cnc(C)nc1C
InChIInChI=1S/C13H23N3/c1-7-13(5,6)16-10(3)12-8-14-11(4)15-9(12)2/h8,10,16H,7H2,1-6H3
InChIKeyAPGBKCUBIMNCLN-UHFFFAOYSA-N
XLogP2.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-methylbutan-2-amine?
The IUPAC name of N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-methylbutan-2-amine (CID 115919204) is N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-methylbutan-2-amine is CCC(C)(C)NC(C)c1cnc(C)nc1C.
What is the InChIKey of N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-methylbutan-2-amine?
The InChIKey is APGBKCUBIMNCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-7-13(5,6)16-10(3)12-8-14-11(4)15-9(12)2/h8,10,16H,7H2,1-6H3.
What are the key properties of N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-methylbutan-2-amine?
N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-methylbutan-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-methylbutan-2-amine is sourced from PubChem (CID 115919204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).