N-cyclopropyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide

C11H14IN3O2 — CID 66341332

IUPACN-cyclopropyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide
SMILESCc1ncn(CCC(=O)NC2CC2)c(=O)c1I
InChIInChI=1S/C11H14IN3O2/c1-7-10(12)11(17)15(6-13-7)5-4-9(16)14-8-2-3-8/h6,8H,2-5H2,1H3,(H,14,16)
InChIKeyJNCYGWXKXADNBO-UHFFFAOYSA-N
MW347.16 g/mol
LogP0.83
Rot. Bonds4

About N-cyclopropyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide

N-cyclopropyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide (PubChem CID 66341332) has the molecular formula C11H14IN3O2 and a molecular weight of 347.16 g/mol. Its IUPAC name is N-cyclopropyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide
PubChem CID66341332
Molecular FormulaC11H14IN3O2
Molecular Weight347.16 g/mol
Exact Mass347.01
IUPAC NameN-cyclopropyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide
SMILESCc1ncn(CCC(=O)NC2CC2)c(=O)c1I
InChIInChI=1S/C11H14IN3O2/c1-7-10(12)11(17)15(6-13-7)5-4-9(16)14-8-2-3-8/h6,8H,2-5H2,1H3,(H,14,16)
InChIKeyJNCYGWXKXADNBO-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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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-cyclopropyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide (CID 66341332) is N-cyclopropyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide is Cc1ncn(CCC(=O)NC2CC2)c(=O)c1I.
What is the InChIKey of N-cyclopropyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is JNCYGWXKXADNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O2/c1-7-10(12)11(17)15(6-13-7)5-4-9(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-4-methyl-6-oxopyrimidin-1-yl)propanamide?
N-cyclopropyl-3-(5-iodo-4-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-4-methyl-6-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 66341332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).