1-(2,6-dimethylpyrimidin-4-yl)-N,3,3-trimethylbutan-2-amine

C13H23N3 — CID 63198425

IUPAC1-(2,6-dimethylpyrimidin-4-yl)-N,3,3-trimethylbutan-2-amine
SMILESCNC(Cc1cc(C)nc(C)n1)C(C)(C)C
InChIInChI=1S/C13H23N3/c1-9-7-11(16-10(2)15-9)8-12(14-6)13(3,4)5/h7,12,14H,8H2,1-6H3
InChIKeyCNARNLVWGILGDC-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.27
Rot. Bonds3

About 1-(2,6-dimethylpyrimidin-4-yl)-N,3,3-trimethylbutan-2-amine

1-(2,6-dimethylpyrimidin-4-yl)-N,3,3-trimethylbutan-2-amine (PubChem CID 63198425) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(2,6-dimethylpyrimidin-4-yl)-N,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound Name1-(2,6-dimethylpyrimidin-4-yl)-N,3,3-trimethylbutan-2-amine
PubChem CID63198425
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(2,6-dimethylpyrimidin-4-yl)-N,3,3-trimethylbutan-2-amine
SMILESCNC(Cc1cc(C)nc(C)n1)C(C)(C)C
InChIInChI=1S/C13H23N3/c1-9-7-11(16-10(2)15-9)8-12(14-6)13(3,4)5/h7,12,14H,8H2,1-6H3
InChIKeyCNARNLVWGILGDC-UHFFFAOYSA-N
XLogP2.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-N,3,3-trimethylbutan-2-amine?
The IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-N,3,3-trimethylbutan-2-amine (CID 63198425) is 1-(2,6-dimethylpyrimidin-4-yl)-N,3,3-trimethylbutan-2-amine.
What is the SMILES notation for 1-(2,6-dimethylpyrimidin-4-yl)-N,3,3-trimethylbutan-2-amine?
The canonical SMILES for 1-(2,6-dimethylpyrimidin-4-yl)-N,3,3-trimethylbutan-2-amine is CNC(Cc1cc(C)nc(C)n1)C(C)(C)C.
What is the InChIKey of 1-(2,6-dimethylpyrimidin-4-yl)-N,3,3-trimethylbutan-2-amine?
The InChIKey is CNARNLVWGILGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-9-7-11(16-10(2)15-9)8-12(14-6)13(3,4)5/h7,12,14H,8H2,1-6H3.
What are the key properties of 1-(2,6-dimethylpyrimidin-4-yl)-N,3,3-trimethylbutan-2-amine?
1-(2,6-dimethylpyrimidin-4-yl)-N,3,3-trimethylbutan-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpyrimidin-4-yl)-N,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 63198425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).