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

C12H16IN3O2 — CID 66308225

IUPACN-cyclohexyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cncc(I)c1=O)NC1CCCCC1
InChIInChI=1S/C12H16IN3O2/c13-10-6-14-8-16(12(10)18)7-11(17)15-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,15,17)
InChIKeyGKMDAYJHJQMXFQ-UHFFFAOYSA-N
MW361.18 g/mol
LogP1.30
Rot. Bonds3

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

N-cyclohexyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide (PubChem CID 66308225) has the molecular formula C12H16IN3O2 and a molecular weight of 361.18 g/mol. Its IUPAC name is N-cyclohexyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
PubChem CID66308225
Molecular FormulaC12H16IN3O2
Molecular Weight361.18 g/mol
Exact Mass361.03
IUPAC NameN-cyclohexyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cncc(I)c1=O)NC1CCCCC1
InChIInChI=1S/C12H16IN3O2/c13-10-6-14-8-16(12(10)18)7-11(17)15-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,15,17)
InChIKeyGKMDAYJHJQMXFQ-UHFFFAOYSA-N
XLogP1.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 51.30
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-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide (CID 66308225) is N-cyclohexyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide is O=C(Cn1cncc(I)c1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is GKMDAYJHJQMXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN3O2/c13-10-6-14-8-16(12(10)18)7-11(17)15-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,15,17).
What are the key properties of N-cyclohexyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
N-cyclohexyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 361.18 g/mol, XLogP of 1.30, 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-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 66308225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).