N-ethyl-3-(2-oxopyrimidin-1-yl)propanamide

C9H13N3O2 — CID 116618410

IUPACN-ethyl-3-(2-oxopyrimidin-1-yl)propanamide
SMILESCCNC(=O)CCn1cccnc1=O
InChIInChI=1S/C9H13N3O2/c1-2-10-8(13)4-7-12-6-3-5-11-9(12)14/h3,5-6H,2,4,7H2,1H3,(H,10,13)
InChIKeyYHDZOOFRUWNMCH-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.23
Rot. Bonds4

About N-ethyl-3-(2-oxopyrimidin-1-yl)propanamide

N-ethyl-3-(2-oxopyrimidin-1-yl)propanamide (PubChem CID 116618410) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-ethyl-3-(2-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(2-oxopyrimidin-1-yl)propanamide
PubChem CID116618410
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-ethyl-3-(2-oxopyrimidin-1-yl)propanamide
SMILESCCNC(=O)CCn1cccnc1=O
InChIInChI=1S/C9H13N3O2/c1-2-10-8(13)4-7-12-6-3-5-11-9(12)14/h3,5-6H,2,4,7H2,1H3,(H,10,13)
InChIKeyYHDZOOFRUWNMCH-UHFFFAOYSA-N
XLogP-0.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-ethyl-3-(2-oxopyrimidin-1-yl)propanamide (CID 116618410) is N-ethyl-3-(2-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-ethyl-3-(2-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-ethyl-3-(2-oxopyrimidin-1-yl)propanamide is CCNC(=O)CCn1cccnc1=O.
What is the InChIKey of N-ethyl-3-(2-oxopyrimidin-1-yl)propanamide?
The InChIKey is YHDZOOFRUWNMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-10-8(13)4-7-12-6-3-5-11-9(12)14/h3,5-6H,2,4,7H2,1H3,(H,10,13).
What are the key properties of N-ethyl-3-(2-oxopyrimidin-1-yl)propanamide?
N-ethyl-3-(2-oxopyrimidin-1-yl)propanamide has a molecular weight of 195.22 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 116618410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).