2-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide

C8H11IN4O2 — CID 136713544

IUPAC2-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
SMILESCCN(CC(N)=O)c1nc[nH]c(=O)c1I
InChIInChI=1S/C8H11IN4O2/c1-2-13(3-5(10)14)7-6(9)8(15)12-4-11-7/h4H,2-3H2,1H3,(H2,10,14)(H,11,12,15)
InChIKeyIPOSPOPJZDZSDP-UHFFFAOYSA-N
MW322.11 g/mol
LogP-0.31
Rot. Bonds4

About 2-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide

2-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide (PubChem CID 136713544) has the molecular formula C8H11IN4O2 and a molecular weight of 322.11 g/mol. Its IUPAC name is 2-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
PubChem CID136713544
Molecular FormulaC8H11IN4O2
Molecular Weight322.11 g/mol
Exact Mass321.99
IUPAC Name2-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
SMILESCCN(CC(N)=O)c1nc[nH]c(=O)c1I
InChIInChI=1S/C8H11IN4O2/c1-2-13(3-5(10)14)7-6(9)8(15)12-4-11-7/h4H,2-3H2,1H3,(H2,10,14)(H,11,12,15)
InChIKeyIPOSPOPJZDZSDP-UHFFFAOYSA-N
XLogP-0.31
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.11
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pyrimidine, 4,5-bisethylamino-6-hydroxy-
CID 135814991
Pyrimidine, 4-amino-5-diethylamino-6-hydroxy-
CID 171384005
Pyrimidine, 5-diethylamino-4-ethylamino-6-hydroxy-
CID 171384170
4-[2-aminoethyl(2,2-difluoroethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136728231
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136728239
2-[[5-(Iodoamino)-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]amino]acetamide
CID 89120109
6-Amino-5-iodo-3-methyl-2-piperazin-1-ylpyrimidin-4-one
CID 175603032
N-[4-(acetylamino)-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl]acetamide
CID 816949
2-(5-iodo-6-oxopyrimidin-1-yl)-N-propylacetamide
CID 66307801
N-butyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66307812
N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66309054
2-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
CID 66310768

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
The IUPAC name of 2-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide (CID 136713544) is 2-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for 2-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for 2-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide is CCN(CC(N)=O)c1nc[nH]c(=O)c1I.
What is the InChIKey of 2-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
The InChIKey is IPOSPOPJZDZSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN4O2/c1-2-13(3-5(10)14)7-6(9)8(15)12-4-11-7/h4H,2-3H2,1H3,(H2,10,14)(H,11,12,15).
What are the key properties of 2-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
2-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide has a molecular weight of 322.11 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 136713544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).