N-cyclopropyl-3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanamide

C11H14IN3O2 — CID 66341380

IUPACN-cyclopropyl-3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanamide
SMILESCc1ncc(I)c(=O)n1CCC(=O)NC1CC1
InChIInChI=1S/C11H14IN3O2/c1-7-13-6-9(12)11(17)15(7)5-4-10(16)14-8-2-3-8/h6,8H,2-5H2,1H3,(H,14,16)
InChIKeyHTAZXUKLBKDVJU-UHFFFAOYSA-N
MW347.16 g/mol
LogP0.83
Rot. Bonds4

About N-cyclopropyl-3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanamide

N-cyclopropyl-3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanamide (PubChem CID 66341380) has the molecular formula C11H14IN3O2 and a molecular weight of 347.16 g/mol. Its IUPAC name is N-cyclopropyl-3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanamide
PubChem CID66341380
Molecular FormulaC11H14IN3O2
Molecular Weight347.16 g/mol
Exact Mass347.01
IUPAC NameN-cyclopropyl-3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanamide
SMILESCc1ncc(I)c(=O)n1CCC(=O)NC1CC1
InChIInChI=1S/C11H14IN3O2/c1-7-13-6-9(12)11(17)15(7)5-4-10(16)14-8-2-3-8/h6,8H,2-5H2,1H3,(H,14,16)
InChIKeyHTAZXUKLBKDVJU-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
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

ethyl 3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanoate
CID 66341133
N-cyclopropyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19551987
N-(cyclopropylmethyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66341152
5-iodo-2-methyl-3-[2-(methylamino)ethyl]pyrimidin-4-one
CID 66341162
N-cyclopropyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882681
N-cyclopentyl-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882159
4-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)butanenitrile
CID 66342248
N-cyclohexyl-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882160
N-cyclopropyl-3-(4-methylpyrazol-1-yl)propanamide
CID 19559575
1-[3-(cyclopropylamino)-3-oxopropyl]-2-methylimidazole-4-sulfonyl chloride
CID 82911022
N-cyclopropyl-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 18150899
3-[2-(cyclopentylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid
CID 65172485

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-cyclopropyl-3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanamide (CID 66341380) is N-cyclopropyl-3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanamide is Cc1ncc(I)c(=O)n1CCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is HTAZXUKLBKDVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O2/c1-7-13-6-9(12)11(17)15(7)5-4-10(16)14-8-2-3-8/h6,8H,2-5H2,1H3,(H,14,16).
What are the key properties of N-cyclopropyl-3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanamide?
N-cyclopropyl-3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanamide has a molecular weight of 347.16 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 66341380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).