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

C14H20IN3O2 — CID 66340424

IUPACN-cycloheptyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1ncn(CC(=O)NC2CCCCCC2)c(=O)c1I
InChIInChI=1S/C14H20IN3O2/c1-10-13(15)14(20)18(9-16-10)8-12(19)17-11-6-4-2-3-5-7-11/h9,11H,2-8H2,1H3,(H,17,19)
InChIKeyAYUUKEXUZNWVCY-UHFFFAOYSA-N
MW389.24 g/mol
LogP2.00
Rot. Bonds3

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

N-cycloheptyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 66340424) has the molecular formula C14H20IN3O2 and a molecular weight of 389.24 g/mol. Its IUPAC name is N-cycloheptyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID66340424
Molecular FormulaC14H20IN3O2
Molecular Weight389.24 g/mol
Exact Mass389.06
IUPAC NameN-cycloheptyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1ncn(CC(=O)NC2CCCCCC2)c(=O)c1I
InChIInChI=1S/C14H20IN3O2/c1-10-13(15)14(20)18(9-16-10)8-12(19)17-11-6-4-2-3-5-7-11/h9,11H,2-8H2,1H3,(H,17,19)
InChIKeyAYUUKEXUZNWVCY-UHFFFAOYSA-N
XLogP2.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 52.00
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-cycloheptyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide (CID 66340424) is N-cycloheptyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide is Cc1ncn(CC(=O)NC2CCCCCC2)c(=O)c1I.
What is the InChIKey of N-cycloheptyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is AYUUKEXUZNWVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN3O2/c1-10-13(15)14(20)18(9-16-10)8-12(19)17-11-6-4-2-3-5-7-11/h9,11H,2-8H2,1H3,(H,17,19).
What are the key properties of N-cycloheptyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
N-cycloheptyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 389.24 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 66340424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).