6-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-5-methylpyrimidin-4-amine

C13H22N4 — CID 80992034

IUPAC6-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(N2CCC(C)(C)C2)n1
InChIInChI=1S/C13H22N4/c1-5-10-15-11(14)9(2)12(16-10)17-7-6-13(3,4)8-17/h5-8H2,1-4H3,(H2,14,15,16)
InChIKeyBAGWPHIDNXXWMJ-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.17
Rot. Bonds2

About 6-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-5-methylpyrimidin-4-amine

6-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80992034) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 6-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-5-methylpyrimidin-4-amine
PubChem CID80992034
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name6-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(N2CCC(C)(C)C2)n1
InChIInChI=1S/C13H22N4/c1-5-10-15-11(14)9(2)12(16-10)17-7-6-13(3,4)8-17/h5-8H2,1-4H3,(H2,14,15,16)
InChIKeyBAGWPHIDNXXWMJ-UHFFFAOYSA-N
XLogP2.17
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-5-methylpyrimidin-4-amine (CID 80992034) is 6-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-5-methylpyrimidin-4-amine is CCc1nc(N)c(C)c(N2CCC(C)(C)C2)n1.
What is the InChIKey of 6-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is BAGWPHIDNXXWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-5-10-15-11(14)9(2)12(16-10)17-7-6-13(3,4)8-17/h5-8H2,1-4H3,(H2,14,15,16).
What are the key properties of 6-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-5-methylpyrimidin-4-amine?
6-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80992034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).