3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide

C14H22N4O3 — CID 91923638

IUPAC3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESCOCCNC(=O)C1(CCO)CCN(c2ncccn2)C1
InChIInChI=1S/C14H22N4O3/c1-21-10-7-15-12(20)14(4-9-19)3-8-18(11-14)13-16-5-2-6-17-13/h2,5-6,19H,3-4,7-11H2,1H3,(H,15,20)
InChIKeyLOSPIDDVTZDDBG-UHFFFAOYSA-N
MW294.35 g/mol
LogP-0.18
Rot. Bonds7

About 3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide

3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide (PubChem CID 91923638) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
PubChem CID91923638
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESCOCCNC(=O)C1(CCO)CCN(c2ncccn2)C1
InChIInChI=1S/C14H22N4O3/c1-21-10-7-15-12(20)14(4-9-19)3-8-18(11-14)13-16-5-2-6-17-13/h2,5-6,19H,3-4,7-11H2,1H3,(H,15,20)
InChIKeyLOSPIDDVTZDDBG-UHFFFAOYSA-N
XLogP-0.18
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide (CID 91923638) is 3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide is COCCNC(=O)C1(CCO)CCN(c2ncccn2)C1.
What is the InChIKey of 3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is LOSPIDDVTZDDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-21-10-7-15-12(20)14(4-9-19)3-8-18(11-14)13-16-5-2-6-17-13/h2,5-6,19H,3-4,7-11H2,1H3,(H,15,20).
What are the key properties of 3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 91923638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).