N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide

C8H8Cl2N4O3 — CID 114583065

IUPACN-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
SMILESCC(C(=O)NC(N)=O)n1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H8Cl2N4O3/c1-3(6(15)13-8(11)17)14-2-12-5(10)4(9)7(14)16/h2-3H,1H3,(H3,11,13,15,17)
InChIKeyYGLCPBZXOGSINX-UHFFFAOYSA-N
MW279.08 g/mol
LogP0.31
Rot. Bonds2

About N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide

N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide (PubChem CID 114583065) has the molecular formula C8H8Cl2N4O3 and a molecular weight of 279.08 g/mol. Its IUPAC name is N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
PubChem CID114583065
Molecular FormulaC8H8Cl2N4O3
Molecular Weight279.08 g/mol
Exact Mass278.00
IUPAC NameN-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
SMILESCC(C(=O)NC(N)=O)n1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H8Cl2N4O3/c1-3(6(15)13-8(11)17)14-2-12-5(10)4(9)7(14)16/h2-3H,1H3,(H3,11,13,15,17)
InChIKeyYGLCPBZXOGSINX-UHFFFAOYSA-N
XLogP0.31
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604307
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604308
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 113604337
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 113604347
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604350
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 113604360
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 113604404
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(ethylcarbamoyl)propanamide
CID 113604460
N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 114581769
N-carbamoyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide
CID 114582197
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(ethylcarbamoyl)propanamide
CID 114582313
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 114582358

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide (CID 114583065) is N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide is CC(C(=O)NC(N)=O)n1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is YGLCPBZXOGSINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N4O3/c1-3(6(15)13-8(11)17)14-2-12-5(10)4(9)7(14)16/h2-3H,1H3,(H3,11,13,15,17).
What are the key properties of N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide?
N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide has a molecular weight of 279.08 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 114583065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).