N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide

C9H13N3O2 — CID 129258522

IUPACN-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1cnc(=O)[nH]c1
InChIInChI=1S/C9H13N3O2/c1-2-8(13)10-4-3-7-5-11-9(14)12-6-7/h5-6H,2-4H2,1H3,(H,10,13)(H,11,12,14)
InChIKeySQQCWVCYEQEKED-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.16
Rot. Bonds4

About N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide

N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide (PubChem CID 129258522) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide
PubChem CID129258522
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1cnc(=O)[nH]c1
InChIInChI=1S/C9H13N3O2/c1-2-8(13)10-4-3-7-5-11-9(14)12-6-7/h5-6H,2-4H2,1H3,(H,10,13)(H,11,12,14)
InChIKeySQQCWVCYEQEKED-UHFFFAOYSA-N
XLogP-0.16
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide?
The IUPAC name of N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide (CID 129258522) is N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide is CCC(=O)NCCc1cnc(=O)[nH]c1.
What is the InChIKey of N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide?
The InChIKey is SQQCWVCYEQEKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-8(13)10-4-3-7-5-11-9(14)12-6-7/h5-6H,2-4H2,1H3,(H,10,13)(H,11,12,14).
What are the key properties of N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide?
N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide has a molecular weight of 195.22 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide is sourced from PubChem (CID 129258522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).