3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide

C7H9IN4O2 — CID 136956109

IUPAC3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESNC(=O)CCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C7H9IN4O2/c8-5-6(10-2-1-4(9)13)11-3-12-7(5)14/h3H,1-2H2,(H2,9,13)(H2,10,11,12,14)
InChIKeyDTHIRHDYECUMAE-UHFFFAOYSA-N
MW308.08 g/mol
LogP-0.34
Rot. Bonds4

About 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide

3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (PubChem CID 136956109) has the molecular formula C7H9IN4O2 and a molecular weight of 308.08 g/mol. Its IUPAC name is 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
PubChem CID136956109
Molecular FormulaC7H9IN4O2
Molecular Weight308.08 g/mol
Exact Mass307.98
IUPAC Name3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESNC(=O)CCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C7H9IN4O2/c8-5-6(10-2-1-4(9)13)11-3-12-7(5)14/h3H,1-2H2,(H2,9,13)(H2,10,11,12,14)
InChIKeyDTHIRHDYECUMAE-UHFFFAOYSA-N
XLogP-0.34
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.08
LogP ≤ 5-0.34
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-[(3-amino-2,2-difluoropropyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136979150
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671889
4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136689853
4-[3-(dimethylamino)propyl-ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136752197
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
6-(Ethylamino)-5-iodopyrimidin-4(3H)-one
CID 136914103
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 136914195
5-iodo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
CID 136914200
N-methyl-3-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136914212
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 136954307

Frequently Asked Questions

What is the IUPAC name of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The IUPAC name of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (CID 136956109) is 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is NC(=O)CCNc1nc[nH]c(=O)c1I.
What is the InChIKey of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The InChIKey is DTHIRHDYECUMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN4O2/c8-5-6(10-2-1-4(9)13)11-3-12-7(5)14/h3H,1-2H2,(H2,9,13)(H2,10,11,12,14).
What are the key properties of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide has a molecular weight of 308.08 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 136956109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).