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

C11H14IN3O2 — CID 66341152

IUPACN-(cyclopropylmethyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1ncc(I)c(=O)n1CC(=O)NCC1CC1
InChIInChI=1S/C11H14IN3O2/c1-7-13-5-9(12)11(17)15(7)6-10(16)14-4-8-2-3-8/h5,8H,2-4,6H2,1H3,(H,14,16)
InChIKeyHGSRVFNEYZFZSI-UHFFFAOYSA-N
MW347.16 g/mol
LogP0.68
Rot. Bonds4

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

N-(cyclopropylmethyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 66341152) has the molecular formula C11H14IN3O2 and a molecular weight of 347.16 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID66341152
Molecular FormulaC11H14IN3O2
Molecular Weight347.16 g/mol
Exact Mass347.01
IUPAC NameN-(cyclopropylmethyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1ncc(I)c(=O)n1CC(=O)NCC1CC1
InChIInChI=1S/C11H14IN3O2/c1-7-13-5-9(12)11(17)15(7)6-10(16)14-4-8-2-3-8/h5,8H,2-4,6H2,1H3,(H,14,16)
InChIKeyHGSRVFNEYZFZSI-UHFFFAOYSA-N
XLogP0.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
CID 66339829
methyl 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetate
CID 66342694
ethyl 4-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-3-oxobutanoate
CID 66342493
N-(2-fluorophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66340046
5-iodo-2-methyl-3-(oxan-4-ylmethyl)pyrimidin-4-one
CID 66342259
3-[2-(azetidin-3-yl)ethyl]-5-iodo-2-methylpyrimidin-4-one
CID 107391335
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide
CID 66307930
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-5-iodo-2-methylpyrimidin-4-one
CID 66341613
3-[2-(cycloheptylamino)ethyl]-5-iodo-2-methylpyrimidin-4-one
CID 66340070
ethyl 3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanoate
CID 66341133
3-[2-(2-bromophenyl)-2-oxoethyl]-5-iodo-2-methylpyrimidin-4-one
CID 66342495
3-(2-hydroxypropyl)-5-iodo-2-methylpyrimidin-4-one
CID 66340054

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide (CID 66341152) is N-(cyclopropylmethyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide is Cc1ncc(I)c(=O)n1CC(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is HGSRVFNEYZFZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O2/c1-7-13-5-9(12)11(17)15(7)6-10(16)14-4-8-2-3-8/h5,8H,2-4,6H2,1H3,(H,14,16).
What are the key properties of N-(cyclopropylmethyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide?
N-(cyclopropylmethyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 347.16 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 66341152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).