N-(2-aminophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide

C12H11IN4O2 — CID 66308829

IUPACN-(2-aminophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
SMILESNc1ccccc1NC(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C12H11IN4O2/c13-8-5-15-7-17(12(8)19)6-11(18)16-10-4-2-1-3-9(10)14/h1-5,7H,6,14H2,(H,16,18)
InChIKeyYUUSOYUZHIGOOI-UHFFFAOYSA-N
MW370.15 g/mol
LogP1.07
Rot. Bonds3

About N-(2-aminophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide

N-(2-aminophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide (PubChem CID 66308829) has the molecular formula C12H11IN4O2 and a molecular weight of 370.15 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
PubChem CID66308829
Molecular FormulaC12H11IN4O2
Molecular Weight370.15 g/mol
Exact Mass369.99
IUPAC NameN-(2-aminophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
SMILESNc1ccccc1NC(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C12H11IN4O2/c13-8-5-15-7-17(12(8)19)6-11(18)16-10-4-2-1-3-9(10)14/h1-5,7H,6,14H2,(H,16,18)
InChIKeyYUUSOYUZHIGOOI-UHFFFAOYSA-N
XLogP1.07
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.15
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-fluorophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66308622
N-(4-amino-2-bromophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66309265
N-(2-aminophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 63768463
N-(2-aminophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 55064353
N-(2-aminophenyl)-2-(3-bromo-2-oxo-1-pyridinyl)acetamide
CID 114760013
N-(2-aminophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 62962477
N-(2-aminophenyl)-2-(4-fluoroindol-1-yl)acetamide
CID 82782601
2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide
CID 102158017
N-(2-ethylphenyl)-2-[6-oxo-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide
CID 53168605
2-[2-[(5-iodo-6-oxopyrimidin-1-yl)methyl]phenyl]acetic acid
CID 113314447
N-(2-aminophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide
CID 80579705
5-iodo-3-[2-(2-oxo-1-pyridinyl)ethyl]pyrimidin-4-one
CID 82907417

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-aminophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide (CID 66308829) is N-(2-aminophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-aminophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide is Nc1ccccc1NC(=O)Cn1cncc(I)c1=O.
What is the InChIKey of N-(2-aminophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is YUUSOYUZHIGOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN4O2/c13-8-5-15-7-17(12(8)19)6-11(18)16-10-4-2-1-3-9(10)14/h1-5,7H,6,14H2,(H,16,18).
What are the key properties of N-(2-aminophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
N-(2-aminophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 370.15 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 66308829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).