N-carbamoyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide

C8H9IN4O3 — CID 66339990

IUPACN-carbamoyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1ncn(CC(=O)NC(N)=O)c(=O)c1I
InChIInChI=1S/C8H9IN4O3/c1-4-6(9)7(15)13(3-11-4)2-5(14)12-8(10)16/h3H,2H2,1H3,(H3,10,12,14,16)
InChIKeyCNYPWROWAKWSCS-UHFFFAOYSA-N
MW336.09 g/mol
LogP-0.65
Rot. Bonds2

About N-carbamoyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide

N-carbamoyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 66339990) has the molecular formula C8H9IN4O3 and a molecular weight of 336.09 g/mol. Its IUPAC name is N-carbamoyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID66339990
Molecular FormulaC8H9IN4O3
Molecular Weight336.09 g/mol
Exact Mass335.97
IUPAC NameN-carbamoyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1ncn(CC(=O)NC(N)=O)c(=O)c1I
InChIInChI=1S/C8H9IN4O3/c1-4-6(9)7(15)13(3-11-4)2-5(14)12-8(10)16/h3H,2H2,1H3,(H3,10,12,14,16)
InChIKeyCNYPWROWAKWSCS-UHFFFAOYSA-N
XLogP-0.65
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.09
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-carbamoyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide (CID 66339990) is N-carbamoyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-carbamoyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-carbamoyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide is Cc1ncn(CC(=O)NC(N)=O)c(=O)c1I.
What is the InChIKey of N-carbamoyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is CNYPWROWAKWSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN4O3/c1-4-6(9)7(15)13(3-11-4)2-5(14)12-8(10)16/h3H,2H2,1H3,(H3,10,12,14,16).
What are the key properties of N-carbamoyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
N-carbamoyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 336.09 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 66339990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).