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

C12H11IN4O2 — CID 136970959

IUPACN-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc[nH]c(=O)c2I)cc1
InChIInChI=1S/C12H11IN4O2/c1-7(18)16-8-2-4-9(5-3-8)17-11-10(13)12(19)15-6-14-11/h2-6H,1H3,(H,16,18)(H2,14,15,17,19)
InChIKeyACILAPLCMGFNEG-UHFFFAOYSA-N
MW370.15 g/mol
LogP2.08
Rot. Bonds3

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

N-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]phenyl]acetamide (PubChem CID 136970959) has the molecular formula C12H11IN4O2 and a molecular weight of 370.15 g/mol. Its IUPAC name is N-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]phenyl]acetamide
PubChem CID136970959
Molecular FormulaC12H11IN4O2
Molecular Weight370.15 g/mol
Exact Mass369.99
IUPAC NameN-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc[nH]c(=O)c2I)cc1
InChIInChI=1S/C12H11IN4O2/c1-7(18)16-8-2-4-9(5-3-8)17-11-10(13)12(19)15-6-14-11/h2-6H,1H3,(H,16,18)(H2,14,15,17,19)
InChIKeyACILAPLCMGFNEG-UHFFFAOYSA-N
XLogP2.08
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.15
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluoro-3-methylanilino)-5-iodo-1H-pyrimidin-6-one
CID 136971250
5-iodo-4-(thiophen-3-ylamino)-1H-pyrimidin-6-one
CID 136971396
4-[3-(dimethylamino)-4-methylanilino]-5-iodo-1H-pyrimidin-6-one
CID 136971479
4-(3-chloro-4-methoxyanilino)-5-iodo-1H-pyrimidin-6-one
CID 136990076
4-(3-fluoroanilino)-5-iodo-1H-pyrimidin-6-one
CID 136970589
5-iodo-4-(quinolin-3-ylamino)-1H-pyrimidin-6-one
CID 136971241
4-[(1-ethylpyrazol-4-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136956113
4-(5-bromo-2-methylanilino)-5-iodo-1H-pyrimidin-6-one
CID 136970874
methyl 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]benzoate
CID 135575665
2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 136993962
N-[4-[[2-(pyridin-4-ylamino)-7H-purin-6-yl]amino]phenyl]acetamide
CID 117091693
N-(4-iodophenyl)acetamide
CID 12147

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]phenyl]acetamide (CID 136970959) is N-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc[nH]c(=O)c2I)cc1.
What is the InChIKey of N-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]phenyl]acetamide?
The InChIKey is ACILAPLCMGFNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN4O2/c1-7(18)16-8-2-4-9(5-3-8)17-11-10(13)12(19)15-6-14-11/h2-6H,1H3,(H,16,18)(H2,14,15,17,19).
What are the key properties of N-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]phenyl]acetamide?
N-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]phenyl]acetamide has a molecular weight of 370.15 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 136970959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).