3-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide

C9H12ClN3O2 — CID 114582377

IUPAC3-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1cnc(Cl)cc1=O
InChIInChI=1S/C9H12ClN3O2/c1-2-11-8(14)3-4-13-6-12-7(10)5-9(13)15/h5-6H,2-4H2,1H3,(H,11,14)
InChIKeyGGPRDVYSKCNBMP-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.42
Rot. Bonds4

About 3-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide

3-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide (PubChem CID 114582377) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 3-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
PubChem CID114582377
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name3-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1cnc(Cl)cc1=O
InChIInChI=1S/C9H12ClN3O2/c1-2-11-8(14)3-4-13-6-12-7(10)5-9(13)15/h5-6H,2-4H2,1H3,(H,11,14)
InChIKeyGGPRDVYSKCNBMP-UHFFFAOYSA-N
XLogP0.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(Ethylamino)propyl]pyrimidin-4-one
CID 63767956
3-[3-(Methylamino)propyl]pyrimidin-4-one
CID 63768831
3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 113604535
3-(4-Chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide
CID 114581597
3-(4-Chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 114581667
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
CID 114581780
4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114581852
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 114581885
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114581887
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114581936
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 114581990
3-(4-Chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide
CID 114582025

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The IUPAC name of 3-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide (CID 114582377) is 3-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 3-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The canonical SMILES for 3-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide is CCNC(=O)CCn1cnc(Cl)cc1=O.
What is the InChIKey of 3-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The InChIKey is GGPRDVYSKCNBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-2-11-8(14)3-4-13-6-12-7(10)5-9(13)15/h5-6H,2-4H2,1H3,(H,11,14).
What are the key properties of 3-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
3-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide has a molecular weight of 229.67 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 114582377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).