N-carbamoyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide

C8H9ClN4O3 — CID 114582197

IUPACN-carbamoyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide
SMILESCC(C(=O)NC(N)=O)n1cnc(Cl)cc1=O
InChIInChI=1S/C8H9ClN4O3/c1-4(7(15)12-8(10)16)13-3-11-5(9)2-6(13)14/h2-4H,1H3,(H3,10,12,15,16)
InChIKeyBWMDAVURIWTYCR-UHFFFAOYSA-N
MW244.64 g/mol
LogP-0.35
Rot. Bonds2

About N-carbamoyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide

N-carbamoyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide (PubChem CID 114582197) has the molecular formula C8H9ClN4O3 and a molecular weight of 244.64 g/mol. Its IUPAC name is N-carbamoyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide
PubChem CID114582197
Molecular FormulaC8H9ClN4O3
Molecular Weight244.64 g/mol
Exact Mass244.04
IUPAC NameN-carbamoyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide
SMILESCC(C(=O)NC(N)=O)n1cnc(Cl)cc1=O
InChIInChI=1S/C8H9ClN4O3/c1-4(7(15)12-8(10)16)13-3-11-5(9)2-6(13)14/h2-4H,1H3,(H3,10,12,15,16)
InChIKeyBWMDAVURIWTYCR-UHFFFAOYSA-N
XLogP-0.35
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.64
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(ethylcarbamoyl)propanamide
CID 113604177
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604200
2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604232
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)propanamide
CID 113604243
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 113604347
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-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide
CID 113604592
N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 114581613
N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 114581769
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 114581825
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114581859

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-carbamoyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide (CID 114582197) is N-carbamoyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-carbamoyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-carbamoyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide is CC(C(=O)NC(N)=O)n1cnc(Cl)cc1=O.
What is the InChIKey of N-carbamoyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is BWMDAVURIWTYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O3/c1-4(7(15)12-8(10)16)13-3-11-5(9)2-6(13)14/h2-4H,1H3,(H3,10,12,15,16).
What are the key properties of N-carbamoyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide?
N-carbamoyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide has a molecular weight of 244.64 g/mol, XLogP of -0.35, 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-chloro-6-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 114582197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).