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

C9H10IN3O2 — CID 66310134

IUPACN-cyclopropyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cncc(I)c1=O)NC1CC1
InChIInChI=1S/C9H10IN3O2/c10-7-3-11-5-13(9(7)15)4-8(14)12-6-1-2-6/h3,5-6H,1-2,4H2,(H,12,14)
InChIKeyPKRIPCRDELTTTH-UHFFFAOYSA-N
MW319.10 g/mol
LogP0.13
Rot. Bonds3

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

N-cyclopropyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide (PubChem CID 66310134) has the molecular formula C9H10IN3O2 and a molecular weight of 319.10 g/mol. Its IUPAC name is N-cyclopropyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
PubChem CID66310134
Molecular FormulaC9H10IN3O2
Molecular Weight319.10 g/mol
Exact Mass318.98
IUPAC NameN-cyclopropyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cncc(I)c1=O)NC1CC1
InChIInChI=1S/C9H10IN3O2/c10-7-3-11-5-13(9(7)15)4-8(14)12-6-1-2-6/h3,5-6H,1-2,4H2,(H,12,14)
InChIKeyPKRIPCRDELTTTH-UHFFFAOYSA-N
XLogP0.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.10
LogP ≤ 50.13
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-cyclopropyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide (CID 66310134) is N-cyclopropyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide is O=C(Cn1cncc(I)c1=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is PKRIPCRDELTTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN3O2/c10-7-3-11-5-13(9(7)15)4-8(14)12-6-1-2-6/h3,5-6H,1-2,4H2,(H,12,14).
What are the key properties of N-cyclopropyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
N-cyclopropyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 319.10 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 66310134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).