4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]butanamide

C8H11IN4O2 — CID 136956163

IUPAC4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
SMILESNC(=O)CCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C8H11IN4O2/c9-6-7(12-4-13-8(6)15)11-3-1-2-5(10)14/h4H,1-3H2,(H2,10,14)(H2,11,12,13,15)
InChIKeyPHWFSIILWUXVHN-UHFFFAOYSA-N
MW322.11 g/mol
LogP0.05
Rot. Bonds5

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

4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]butanamide (PubChem CID 136956163) has the molecular formula C8H11IN4O2 and a molecular weight of 322.11 g/mol. Its IUPAC name is 4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
PubChem CID136956163
Molecular FormulaC8H11IN4O2
Molecular Weight322.11 g/mol
Exact Mass321.99
IUPAC Name4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
SMILESNC(=O)CCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C8H11IN4O2/c9-6-7(12-4-13-8(6)15)11-3-1-2-5(10)14/h4H,1-3H2,(H2,10,14)(H2,11,12,13,15)
InChIKeyPHWFSIILWUXVHN-UHFFFAOYSA-N
XLogP0.05
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.11
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136957048
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671889
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136689236
4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136689853
4-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136755772
4-[5-aminopentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136829857
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 136843229
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 136843238
5-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136880887
5-iodo-4-(pent-4-ynylamino)-1H-pyrimidin-6-one
CID 136882493
4-(4-aminopentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136902392
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 136914195

Frequently Asked Questions

What is the IUPAC name of 4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The IUPAC name of 4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]butanamide (CID 136956163) is 4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for 4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The canonical SMILES for 4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]butanamide is NC(=O)CCCNc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The InChIKey is PHWFSIILWUXVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN4O2/c9-6-7(12-4-13-8(6)15)11-3-1-2-5(10)14/h4H,1-3H2,(H2,10,14)(H2,11,12,13,15).
What are the key properties of 4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]butanamide has a molecular weight of 322.11 g/mol, XLogP of 0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 136956163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).