6-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine

C13H22N4 — CID 80828149

IUPAC6-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(N2CCCC2(C)C)c1C
InChIInChI=1S/C13H22N4/c1-5-14-11-10(2)12(16-9-15-11)17-8-6-7-13(17,3)4/h9H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyZDKFOSVQLAWENB-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.60
Rot. Bonds3

About 6-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine

6-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80828149) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 6-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID80828149
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name6-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(N2CCCC2(C)C)c1C
InChIInChI=1S/C13H22N4/c1-5-14-11-10(2)12(16-9-15-11)17-8-6-7-13(17,3)4/h9H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyZDKFOSVQLAWENB-UHFFFAOYSA-N
XLogP2.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80835406
6-(8-azaspiro[4.5]decan-8-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80831776
6-(2,2-dimethylpyrrolidin-1-yl)-5-methylpyrimidin-4-amine
CID 80828344
6-(3,3-diethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80855240
N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 80823280
N-ethyl-5-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767326
6-(3,3-dimethylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80835703
N-ethyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80793772
N-ethyl-6-(2-ethylmorpholin-4-yl)-5-methylpyrimidin-4-amine
CID 80788166
[1-[6-(ethylamino)-5-methylpyrimidin-4-yl]azepan-2-yl]methanol
CID 116640640
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80854935
8-(2,2-dimethylpyrrolidin-1-yl)-N-ethylimidazo[1,2-a]pyrazin-6-amine
CID 80828250

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine (CID 80828149) is 6-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine is CCNc1ncnc(N2CCCC2(C)C)c1C.
What is the InChIKey of 6-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is ZDKFOSVQLAWENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-5-14-11-10(2)12(16-9-15-11)17-8-6-7-13(17,3)4/h9H,5-8H2,1-4H3,(H,14,15,16).
What are the key properties of 6-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine?
6-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80828149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).