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

C8H9ClN4O3 — CID 114581613

IUPACN-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1nc(Cl)cc(=O)n1CC(=O)NC(N)=O
InChIInChI=1S/C8H9ClN4O3/c1-4-11-5(9)2-7(15)13(4)3-6(14)12-8(10)16/h2H,3H2,1H3,(H3,10,12,14,16)
InChIKeyYTKFZEAWZLNAEY-UHFFFAOYSA-N
MW244.64 g/mol
LogP-0.60
Rot. Bonds2

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

N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 114581613) has the molecular formula C8H9ClN4O3 and a molecular weight of 244.64 g/mol. Its IUPAC name is N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID114581613
Molecular FormulaC8H9ClN4O3
Molecular Weight244.64 g/mol
Exact Mass244.04
IUPAC NameN-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1nc(Cl)cc(=O)n1CC(=O)NC(N)=O
InChIInChI=1S/C8H9ClN4O3/c1-4-11-5(9)2-7(15)13(4)3-6(14)12-8(10)16/h2H,3H2,1H3,(H3,10,12,14,16)
InChIKeyYTKFZEAWZLNAEY-UHFFFAOYSA-N
XLogP-0.60
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 ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113604180
5,6-Dimethyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione
CID 12778105
N-carbamoyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66341371
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(ethylcarbamoyl)propanamide
CID 113604177
N-carbamoyl-2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide
CID 113604592
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 114581614
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide
CID 114581615
2-(4-Chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 114581626
N-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 114581660
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide
CID 114581674
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide
CID 114581759
2-(4-Chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 114581763

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide (CID 114581613) is N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide is Cc1nc(Cl)cc(=O)n1CC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is YTKFZEAWZLNAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O3/c1-4-11-5(9)2-7(15)13(4)3-6(14)12-8(10)16/h2H,3H2,1H3,(H3,10,12,14,16).
What are the key properties of N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide?
N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 244.64 g/mol, XLogP of -0.60, 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-2-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 114581613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).