6-(3,4-dimethoxypyrrolidin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine

C13H22N4O2 — CID 103541964

IUPAC6-(3,4-dimethoxypyrrolidin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(N2CC(OC)C(OC)C2)n1
InChIInChI=1S/C13H22N4O2/c1-5-11-15-12(14-2)6-13(16-11)17-7-9(18-3)10(8-17)19-4/h6,9-10H,5,7-8H2,1-4H3,(H,14,15,16)
InChIKeyJEUWPUDHPPNRMY-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.93
Rot. Bonds5

About 6-(3,4-dimethoxypyrrolidin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine

6-(3,4-dimethoxypyrrolidin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine (PubChem CID 103541964) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-(3,4-dimethoxypyrrolidin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxypyrrolidin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine
PubChem CID103541964
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name6-(3,4-dimethoxypyrrolidin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(N2CC(OC)C(OC)C2)n1
InChIInChI=1S/C13H22N4O2/c1-5-11-15-12(14-2)6-13(16-11)17-7-9(18-3)10(8-17)19-4/h6,9-10H,5,7-8H2,1-4H3,(H,14,15,16)
InChIKeyJEUWPUDHPPNRMY-UHFFFAOYSA-N
XLogP0.93
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxypyrrolidin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-dimethoxypyrrolidin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine (CID 103541964) is 6-(3,4-dimethoxypyrrolidin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dimethoxypyrrolidin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dimethoxypyrrolidin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine is CCc1nc(NC)cc(N2CC(OC)C(OC)C2)n1.
What is the InChIKey of 6-(3,4-dimethoxypyrrolidin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is JEUWPUDHPPNRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-5-11-15-12(14-2)6-13(16-11)17-7-9(18-3)10(8-17)19-4/h6,9-10H,5,7-8H2,1-4H3,(H,14,15,16).
What are the key properties of 6-(3,4-dimethoxypyrrolidin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine?
6-(3,4-dimethoxypyrrolidin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 266.34 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxypyrrolidin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 103541964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).