1-(6-ethoxypyrimidin-4-yl)-N,N,2-trimethylpyrrolidin-3-amine

C13H22N4O — CID 122154321

IUPAC1-(6-ethoxypyrimidin-4-yl)-N,N,2-trimethylpyrrolidin-3-amine
SMILESCCOc1cc(N2CCC(N(C)C)C2C)ncn1
InChIInChI=1S/C13H22N4O/c1-5-18-13-8-12(14-9-15-13)17-7-6-11(10(17)2)16(3)4/h8-11H,5-7H2,1-4H3
InChIKeyLBGDICQUHBGCRH-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.40
Rot. Bonds4

About 1-(6-ethoxypyrimidin-4-yl)-N,N,2-trimethylpyrrolidin-3-amine

1-(6-ethoxypyrimidin-4-yl)-N,N,2-trimethylpyrrolidin-3-amine (PubChem CID 122154321) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-(6-ethoxypyrimidin-4-yl)-N,N,2-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(6-ethoxypyrimidin-4-yl)-N,N,2-trimethylpyrrolidin-3-amine
PubChem CID122154321
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-(6-ethoxypyrimidin-4-yl)-N,N,2-trimethylpyrrolidin-3-amine
SMILESCCOc1cc(N2CCC(N(C)C)C2C)ncn1
InChIInChI=1S/C13H22N4O/c1-5-18-13-8-12(14-9-15-13)17-7-6-11(10(17)2)16(3)4/h8-11H,5-7H2,1-4H3
InChIKeyLBGDICQUHBGCRH-UHFFFAOYSA-N
XLogP1.40
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxypyrimidin-4-yl)-N,N,2-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-(6-ethoxypyrimidin-4-yl)-N,N,2-trimethylpyrrolidin-3-amine (CID 122154321) is 1-(6-ethoxypyrimidin-4-yl)-N,N,2-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(6-ethoxypyrimidin-4-yl)-N,N,2-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(6-ethoxypyrimidin-4-yl)-N,N,2-trimethylpyrrolidin-3-amine is CCOc1cc(N2CCC(N(C)C)C2C)ncn1.
What is the InChIKey of 1-(6-ethoxypyrimidin-4-yl)-N,N,2-trimethylpyrrolidin-3-amine?
The InChIKey is LBGDICQUHBGCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-18-13-8-12(14-9-15-13)17-7-6-11(10(17)2)16(3)4/h8-11H,5-7H2,1-4H3.
What are the key properties of 1-(6-ethoxypyrimidin-4-yl)-N,N,2-trimethylpyrrolidin-3-amine?
1-(6-ethoxypyrimidin-4-yl)-N,N,2-trimethylpyrrolidin-3-amine has a molecular weight of 250.35 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxypyrimidin-4-yl)-N,N,2-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 122154321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).