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

C13H18IN3O2 — CID 66341779

IUPACN-cyclohexyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1ncn(CC(=O)NC2CCCCC2)c(=O)c1I
InChIInChI=1S/C13H18IN3O2/c1-9-12(14)13(19)17(8-15-9)7-11(18)16-10-5-3-2-4-6-10/h8,10H,2-7H2,1H3,(H,16,18)
InChIKeyNWAXVEKJCLYLIM-UHFFFAOYSA-N
MW375.21 g/mol
LogP1.61
Rot. Bonds3

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

N-cyclohexyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 66341779) has the molecular formula C13H18IN3O2 and a molecular weight of 375.21 g/mol. Its IUPAC name is N-cyclohexyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID66341779
Molecular FormulaC13H18IN3O2
Molecular Weight375.21 g/mol
Exact Mass375.04
IUPAC NameN-cyclohexyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1ncn(CC(=O)NC2CCCCC2)c(=O)c1I
InChIInChI=1S/C13H18IN3O2/c1-9-12(14)13(19)17(8-15-9)7-11(18)16-10-5-3-2-4-6-10/h8,10H,2-7H2,1H3,(H,16,18)
InChIKeyNWAXVEKJCLYLIM-UHFFFAOYSA-N
XLogP1.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cyclohexyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide (CID 66341779) is N-cyclohexyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide is Cc1ncn(CC(=O)NC2CCCCC2)c(=O)c1I.
What is the InChIKey of N-cyclohexyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is NWAXVEKJCLYLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN3O2/c1-9-12(14)13(19)17(8-15-9)7-11(18)16-10-5-3-2-4-6-10/h8,10H,2-7H2,1H3,(H,16,18).
What are the key properties of N-cyclohexyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
N-cyclohexyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 375.21 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 66341779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).