1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide

C11H16N4O2 — CID 86795906

IUPAC1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCCOc1cc(N2CCC(C(N)=O)C2)ncn1
InChIInChI=1S/C11H16N4O2/c1-2-17-10-5-9(13-7-14-10)15-4-3-8(6-15)11(12)16/h5,7-8H,2-4,6H2,1H3,(H2,12,16)
InChIKeyODJAJBFBWIJUDY-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.19
Rot. Bonds4

About 1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide

1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 86795906) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID86795906
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCCOc1cc(N2CCC(C(N)=O)C2)ncn1
InChIInChI=1S/C11H16N4O2/c1-2-17-10-5-9(13-7-14-10)15-4-3-8(6-15)11(12)16/h5,7-8H,2-4,6H2,1H3,(H2,12,16)
InChIKeyODJAJBFBWIJUDY-UHFFFAOYSA-N
XLogP0.19
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide (CID 86795906) is 1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide is CCOc1cc(N2CCC(C(N)=O)C2)ncn1.
What is the InChIKey of 1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is ODJAJBFBWIJUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-17-10-5-9(13-7-14-10)15-4-3-8(6-15)11(12)16/h5,7-8H,2-4,6H2,1H3,(H2,12,16).
What are the key properties of 1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide?
1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 86795906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).