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

C11H14IN3O2 — CID 66343173

IUPACN-cyclopropyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide
SMILESCc1ncc(I)c(=O)n1CC(=O)N(C)C1CC1
InChIInChI=1S/C11H14IN3O2/c1-7-13-5-9(12)11(17)15(7)6-10(16)14(2)8-3-4-8/h5,8H,3-4,6H2,1-2H3
InChIKeySQAHJNXKUBBZEE-UHFFFAOYSA-N
MW347.16 g/mol
LogP0.78
Rot. Bonds3

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

N-cyclopropyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide (PubChem CID 66343173) has the molecular formula C11H14IN3O2 and a molecular weight of 347.16 g/mol. Its IUPAC name is N-cyclopropyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide
PubChem CID66343173
Molecular FormulaC11H14IN3O2
Molecular Weight347.16 g/mol
Exact Mass347.01
IUPAC NameN-cyclopropyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide
SMILESCc1ncc(I)c(=O)n1CC(=O)N(C)C1CC1
InChIInChI=1S/C11H14IN3O2/c1-7-13-5-9(12)11(17)15(7)6-10(16)14(2)8-3-4-8/h5,8H,3-4,6H2,1-2H3
InChIKeySQAHJNXKUBBZEE-UHFFFAOYSA-N
XLogP0.78
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 66308025
N-cyclopropyl-N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66308226
N-cyclopropyl-2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 66308233
2-(5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
CID 66308423
N,N-diethyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66309289
N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 66309493
2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 66309663
2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 66310088
N-cyclopropyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66310134
2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide
CID 66339811
N,N-diethyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66340049
2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 66340484

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide (CID 66343173) is N-cyclopropyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide is Cc1ncc(I)c(=O)n1CC(=O)N(C)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide?
The InChIKey is SQAHJNXKUBBZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O2/c1-7-13-5-9(12)11(17)15(7)6-10(16)14(2)8-3-4-8/h5,8H,3-4,6H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide?
N-cyclopropyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide has a molecular weight of 347.16 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 66343173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).