4-(N-ethylanilino)-5-iodo-1H-pyrimidin-6-one

C12H12IN3O — CID 136970661

IUPAC4-(N-ethylanilino)-5-iodo-1H-pyrimidin-6-one
SMILESCCN(c1ccccc1)c1nc[nH]c(=O)c1I
InChIInChI=1S/C12H12IN3O/c1-2-16(9-6-4-3-5-7-9)11-10(13)12(17)15-8-14-11/h3-8H,2H2,1H3,(H,14,15,17)
InChIKeyPZNZPSHYVNXLLE-UHFFFAOYSA-N
MW341.15 g/mol
LogP2.53
Rot. Bonds3

About 4-(N-ethylanilino)-5-iodo-1H-pyrimidin-6-one

4-(N-ethylanilino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136970661) has the molecular formula C12H12IN3O and a molecular weight of 341.15 g/mol. Its IUPAC name is 4-(N-ethylanilino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(N-ethylanilino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136970661
Molecular FormulaC12H12IN3O
Molecular Weight341.15 g/mol
Exact Mass341.00
IUPAC Name4-(N-ethylanilino)-5-iodo-1H-pyrimidin-6-one
SMILESCCN(c1ccccc1)c1nc[nH]c(=O)c1I
InChIInChI=1S/C12H12IN3O/c1-2-16(9-6-4-3-5-7-9)11-10(13)12(17)15-8-14-11/h3-8H,2H2,1H3,(H,14,15,17)
InChIKeyPZNZPSHYVNXLLE-UHFFFAOYSA-N
XLogP2.53
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[N-(3-aminopropyl)-4-methoxyanilino]-5-iodo-1H-pyrimidin-6-one
CID 136972514
4-[(3-amino-2-methylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136972771
5-iodo-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136971411
4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136978684
4-[2-bromoethyl(pentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136972026
4-[(4-aminophenyl)methyl-propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136979283
4-[2-bromoethyl(propan-2-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136971962
4-[bis(2-ethoxyethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136958061
3-(N-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)anilino)propanethioamide
CID 136973109
5-iodo-4-[methyl(pyridin-4-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136993976
methyl 3-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 137007573
4-[2-bromoethyl(butyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136971985

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethylanilino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(N-ethylanilino)-5-iodo-1H-pyrimidin-6-one (CID 136970661) is 4-(N-ethylanilino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(N-ethylanilino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(N-ethylanilino)-5-iodo-1H-pyrimidin-6-one is CCN(c1ccccc1)c1nc[nH]c(=O)c1I.
What is the InChIKey of 4-(N-ethylanilino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is PZNZPSHYVNXLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3O/c1-2-16(9-6-4-3-5-7-9)11-10(13)12(17)15-8-14-11/h3-8H,2H2,1H3,(H,14,15,17).
What are the key properties of 4-(N-ethylanilino)-5-iodo-1H-pyrimidin-6-one?
4-(N-ethylanilino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 341.15 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethylanilino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136970661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).