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

C9H13IN4O2 — CID 136915074

IUPACN-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide
SMILESCCN(C)C(=O)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C9H13IN4O2/c1-3-14(2)6(15)4-11-8-7(10)9(16)13-5-12-8/h5H,3-4H2,1-2H3,(H2,11,12,13,16)
InChIKeyPDYBEQSNENFYKT-UHFFFAOYSA-N
MW336.13 g/mol
LogP0.26
Rot. Bonds4

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

N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide (PubChem CID 136915074) has the molecular formula C9H13IN4O2 and a molecular weight of 336.13 g/mol. Its IUPAC name is N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide
PubChem CID136915074
Molecular FormulaC9H13IN4O2
Molecular Weight336.13 g/mol
Exact Mass336.01
IUPAC NameN-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide
SMILESCCN(C)C(=O)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C9H13IN4O2/c1-3-14(2)6(15)4-11-8-7(10)9(16)13-5-12-8/h5H,3-4H2,1-2H3,(H2,11,12,13,16)
InChIKeyPDYBEQSNENFYKT-UHFFFAOYSA-N
XLogP0.26
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.13
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 66310771
N-carbamoyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66339990
5-Iodo-6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
CID 66340444
N-ethyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66340862

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide?
The IUPAC name of N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide (CID 136915074) is N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide?
The canonical SMILES for N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide is CCN(C)C(=O)CNc1nc[nH]c(=O)c1I.
What is the InChIKey of N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide?
The InChIKey is PDYBEQSNENFYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN4O2/c1-3-14(2)6(15)4-11-8-7(10)9(16)13-5-12-8/h5H,3-4H2,1-2H3,(H2,11,12,13,16).
What are the key properties of N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide?
N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide has a molecular weight of 336.13 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide is sourced from PubChem (CID 136915074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).