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

C10H12IN3O2 — CID 66341106

IUPACN-cyclopropyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1ncn(CC(=O)NC2CC2)c(=O)c1I
InChIInChI=1S/C10H12IN3O2/c1-6-9(11)10(16)14(5-12-6)4-8(15)13-7-2-3-7/h5,7H,2-4H2,1H3,(H,13,15)
InChIKeyGWJKZUOMSWVYQU-UHFFFAOYSA-N
MW333.13 g/mol
LogP0.43
Rot. Bonds3

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

N-cyclopropyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 66341106) has the molecular formula C10H12IN3O2 and a molecular weight of 333.13 g/mol. Its IUPAC name is N-cyclopropyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID66341106
Molecular FormulaC10H12IN3O2
Molecular Weight333.13 g/mol
Exact Mass333.00
IUPAC NameN-cyclopropyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1ncn(CC(=O)NC2CC2)c(=O)c1I
InChIInChI=1S/C10H12IN3O2/c1-6-9(11)10(16)14(5-12-6)4-8(15)13-7-2-3-7/h5,7H,2-4H2,1H3,(H,13,15)
InChIKeyGWJKZUOMSWVYQU-UHFFFAOYSA-N
XLogP0.43
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 50.43
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-4-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide (CID 66341106) is N-cyclopropyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide is Cc1ncn(CC(=O)NC2CC2)c(=O)c1I.
What is the InChIKey of N-cyclopropyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is GWJKZUOMSWVYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3O2/c1-6-9(11)10(16)14(5-12-6)4-8(15)13-7-2-3-7/h5,7H,2-4H2,1H3,(H,13,15).
What are the key properties of N-cyclopropyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
N-cyclopropyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 333.13 g/mol, XLogP of 0.43, 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-4-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 66341106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).