N-carbamoyl-2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)acetamide

C8H9ClN4O4 — CID 114585125

IUPACN-carbamoyl-2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)acetamide
SMILESCOc1c(Cl)ncn(CC(=O)NC(N)=O)c1=O
InChIInChI=1S/C8H9ClN4O4/c1-17-5-6(9)11-3-13(7(5)15)2-4(14)12-8(10)16/h3H,2H2,1H3,(H3,10,12,14,16)
InChIKeyRIDXOWVGQWXYLL-UHFFFAOYSA-N
MW260.64 g/mol
LogP-0.90
Rot. Bonds3

About N-carbamoyl-2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)acetamide

N-carbamoyl-2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)acetamide (PubChem CID 114585125) has the molecular formula C8H9ClN4O4 and a molecular weight of 260.64 g/mol. Its IUPAC name is N-carbamoyl-2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)acetamide
PubChem CID114585125
Molecular FormulaC8H9ClN4O4
Molecular Weight260.64 g/mol
Exact Mass260.03
IUPAC NameN-carbamoyl-2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)acetamide
SMILESCOc1c(Cl)ncn(CC(=O)NC(N)=O)c1=O
InChIInChI=1S/C8H9ClN4O4/c1-17-5-6(9)11-3-13(7(5)15)2-4(14)12-8(10)16/h3H,2H2,1H3,(H3,10,12,14,16)
InChIKeyRIDXOWVGQWXYLL-UHFFFAOYSA-N
XLogP-0.90
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.64
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-carbamoyl-2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)acetamide (CID 114585125) is N-carbamoyl-2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-carbamoyl-2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-carbamoyl-2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)acetamide is COc1c(Cl)ncn(CC(=O)NC(N)=O)c1=O.
What is the InChIKey of N-carbamoyl-2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is RIDXOWVGQWXYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O4/c1-17-5-6(9)11-3-13(7(5)15)2-4(14)12-8(10)16/h3H,2H2,1H3,(H3,10,12,14,16).
What are the key properties of N-carbamoyl-2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)acetamide?
N-carbamoyl-2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 260.64 g/mol, XLogP of -0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 114585125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).