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

C10H14IN3O2 — CID 66343120

IUPACN-ethyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide
SMILESCCNC(=O)CCn1cnc(C)c(I)c1=O
InChIInChI=1S/C10H14IN3O2/c1-3-12-8(15)4-5-14-6-13-7(2)9(11)10(14)16/h6H,3-5H2,1-2H3,(H,12,15)
InChIKeyHHQCBGSEGKVUTK-UHFFFAOYSA-N
MW335.15 g/mol
LogP0.68
Rot. Bonds4

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

N-ethyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide (PubChem CID 66343120) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is N-ethyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide
PubChem CID66343120
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC NameN-ethyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide
SMILESCCNC(=O)CCn1cnc(C)c(I)c1=O
InChIInChI=1S/C10H14IN3O2/c1-3-12-8(15)4-5-14-6-13-7(2)9(11)10(14)16/h6H,3-5H2,1-2H3,(H,12,15)
InChIKeyHHQCBGSEGKVUTK-UHFFFAOYSA-N
XLogP0.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-ethyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide (CID 66343120) is N-ethyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-ethyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-ethyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide is CCNC(=O)CCn1cnc(C)c(I)c1=O.
What is the InChIKey of N-ethyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is HHQCBGSEGKVUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-3-12-8(15)4-5-14-6-13-7(2)9(11)10(14)16/h6H,3-5H2,1-2H3,(H,12,15).
What are the key properties of N-ethyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide?
N-ethyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide has a molecular weight of 335.15 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-ethyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 66343120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).