N-ethyl-N-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide

C13H20N4O2 — CID 54878638

IUPACN-ethyl-N-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
SMILESCCN(CCO)C(=O)C1CCCN1c1ncccn1
InChIInChI=1S/C13H20N4O2/c1-2-16(9-10-18)12(19)11-5-3-8-17(11)13-14-6-4-7-15-13/h4,6-7,11,18H,2-3,5,8-10H2,1H3
InChIKeyNVVBDSWWPLIGAE-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.29
Rot. Bonds5

About N-ethyl-N-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide

N-ethyl-N-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide (PubChem CID 54878638) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
PubChem CID54878638
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
SMILESCCN(CCO)C(=O)C1CCCN1c1ncccn1
InChIInChI=1S/C13H20N4O2/c1-2-16(9-10-18)12(19)11-5-3-8-17(11)13-14-6-4-7-15-13/h4,6-7,11,18H,2-3,5,8-10H2,1H3
InChIKeyNVVBDSWWPLIGAE-UHFFFAOYSA-N
XLogP0.29
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide (CID 54878638) is N-ethyl-N-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide is CCN(CCO)C(=O)C1CCCN1c1ncccn1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is NVVBDSWWPLIGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-16(9-10-18)12(19)11-5-3-8-17(11)13-14-6-4-7-15-13/h4,6-7,11,18H,2-3,5,8-10H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 54878638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).