3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N-ethylpropanamide

C9H12ClN3O3 — CID 66423392

IUPAC3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1cc(Cl)c(=O)[nH]c1=O
InChIInChI=1S/C9H12ClN3O3/c1-2-11-7(14)3-4-13-5-6(10)8(15)12-9(13)16/h5H,2-4H2,1H3,(H,11,14)(H,12,15,16)
InChIKeyQYEYWWBFXGGIJK-UHFFFAOYSA-N
MW245.67 g/mol
LogP-0.28
Rot. Bonds4

About 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N-ethylpropanamide

3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N-ethylpropanamide (PubChem CID 66423392) has the molecular formula C9H12ClN3O3 and a molecular weight of 245.67 g/mol. Its IUPAC name is 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N-ethylpropanamide
PubChem CID66423392
Molecular FormulaC9H12ClN3O3
Molecular Weight245.67 g/mol
Exact Mass245.06
IUPAC Name3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1cc(Cl)c(=O)[nH]c1=O
InChIInChI=1S/C9H12ClN3O3/c1-2-11-7(14)3-4-13-5-6(10)8(15)12-9(13)16/h5H,2-4H2,1H3,(H,11,14)(H,12,15,16)
InChIKeyQYEYWWBFXGGIJK-UHFFFAOYSA-N
XLogP-0.28
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N-ethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 145961
CID 145961
CID 71718225
CID 71718225
CID 145962
CID 145962
CID 25185739
CID 25185739
CID 90680091
CID 90680091
CID 86303998
CID 86303998
CID 89606085
CID 89606085
CID 129825331
CID 129825331
CID 201280
CID 201280
CID 12212763
CID 12212763
CID 63558812
CID 63558812
CID 748600
CID 748600

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N-ethylpropanamide?
The IUPAC name of 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N-ethylpropanamide (CID 66423392) is 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N-ethylpropanamide?
The canonical SMILES for 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N-ethylpropanamide is CCNC(=O)CCn1cc(Cl)c(=O)[nH]c1=O.
What is the InChIKey of 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N-ethylpropanamide?
The InChIKey is QYEYWWBFXGGIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3/c1-2-11-7(14)3-4-13-5-6(10)8(15)12-9(13)16/h5H,2-4H2,1H3,(H,11,14)(H,12,15,16).
What are the key properties of 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N-ethylpropanamide?
3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N-ethylpropanamide has a molecular weight of 245.67 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 66423392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).