N,N-dimethyl-2-(4-methylpyrimidin-2-yl)butan-1-amine;ethane

C13H25N3 — CID 178078918

IUPACN,N-dimethyl-2-(4-methylpyrimidin-2-yl)butan-1-amine;ethane
SMILESCC.CCC(CN(C)C)c1nccc(C)n1
InChIInChI=1S/C11H19N3.C2H6/c1-5-10(8-14(3)4)11-12-7-6-9(2)13-11;1-2/h6-7,10H,5,8H2,1-4H3;1-2H3
InChIKeyJWHCTHVXOMTUFJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.87
Rot. Bonds4

About N,N-dimethyl-2-(4-methylpyrimidin-2-yl)butan-1-amine;ethane

N,N-dimethyl-2-(4-methylpyrimidin-2-yl)butan-1-amine;ethane (PubChem CID 178078918) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methylpyrimidin-2-yl)butan-1-amine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methylpyrimidin-2-yl)butan-1-amine;ethane
PubChem CID178078918
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN,N-dimethyl-2-(4-methylpyrimidin-2-yl)butan-1-amine;ethane
SMILESCC.CCC(CN(C)C)c1nccc(C)n1
InChIInChI=1S/C11H19N3.C2H6/c1-5-10(8-14(3)4)11-12-7-6-9(2)13-11;1-2/h6-7,10H,5,8H2,1-4H3;1-2H3
InChIKeyJWHCTHVXOMTUFJ-UHFFFAOYSA-N
XLogP2.87
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methylpyrimidin-2-yl)butan-1-amine;ethane?
The IUPAC name of N,N-dimethyl-2-(4-methylpyrimidin-2-yl)butan-1-amine;ethane (CID 178078918) is N,N-dimethyl-2-(4-methylpyrimidin-2-yl)butan-1-amine;ethane.
What is the SMILES notation for N,N-dimethyl-2-(4-methylpyrimidin-2-yl)butan-1-amine;ethane?
The canonical SMILES for N,N-dimethyl-2-(4-methylpyrimidin-2-yl)butan-1-amine;ethane is CC.CCC(CN(C)C)c1nccc(C)n1.
What is the InChIKey of N,N-dimethyl-2-(4-methylpyrimidin-2-yl)butan-1-amine;ethane?
The InChIKey is JWHCTHVXOMTUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3.C2H6/c1-5-10(8-14(3)4)11-12-7-6-9(2)13-11;1-2/h6-7,10H,5,8H2,1-4H3;1-2H3.
What are the key properties of N,N-dimethyl-2-(4-methylpyrimidin-2-yl)butan-1-amine;ethane?
N,N-dimethyl-2-(4-methylpyrimidin-2-yl)butan-1-amine;ethane has a molecular weight of 223.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methylpyrimidin-2-yl)butan-1-amine;ethane is sourced from PubChem (CID 178078918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).