N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide

C11H17N3O3 — CID 43573352

IUPACN-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCO)C(=O)Cn1cccnc1=O
InChIInChI=1S/C11H17N3O3/c1-9(2)14(6-7-15)10(16)8-13-5-3-4-12-11(13)17/h3-5,9,15H,6-8H2,1-2H3
InChIKeyHFROHWUFYUUHQB-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.53
Rot. Bonds5

About N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide

N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide (PubChem CID 43573352) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
PubChem CID43573352
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCO)C(=O)Cn1cccnc1=O
InChIInChI=1S/C11H17N3O3/c1-9(2)14(6-7-15)10(16)8-13-5-3-4-12-11(13)17/h3-5,9,15H,6-8H2,1-2H3
InChIKeyHFROHWUFYUUHQB-UHFFFAOYSA-N
XLogP-0.53
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide (CID 43573352) is N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide is CC(C)N(CCO)C(=O)Cn1cccnc1=O.
What is the InChIKey of N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is HFROHWUFYUUHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-9(2)14(6-7-15)10(16)8-13-5-3-4-12-11(13)17/h3-5,9,15H,6-8H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide?
N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 239.27 g/mol, XLogP of -0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 43573352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).