2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide

C7H9IN4O2 — CID 136956121

IUPAC2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCC(Nc1nc[nH]c(=O)c1I)C(N)=O
InChIInChI=1S/C7H9IN4O2/c1-3(5(9)13)12-6-4(8)7(14)11-2-10-6/h2-3H,1H3,(H2,9,13)(H2,10,11,12,14)
InChIKeyXEGJUFDOROEKSF-UHFFFAOYSA-N
MW308.08 g/mol
LogP-0.34
Rot. Bonds3

About 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide

2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (PubChem CID 136956121) has the molecular formula C7H9IN4O2 and a molecular weight of 308.08 g/mol. Its IUPAC name is 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
PubChem CID136956121
Molecular FormulaC7H9IN4O2
Molecular Weight308.08 g/mol
Exact Mass307.98
IUPAC Name2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCC(Nc1nc[nH]c(=O)c1I)C(N)=O
InChIInChI=1S/C7H9IN4O2/c1-3(5(9)13)12-6-4(8)7(14)11-2-10-6/h2-3H,1H3,(H2,9,13)(H2,10,11,12,14)
InChIKeyXEGJUFDOROEKSF-UHFFFAOYSA-N
XLogP-0.34
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
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

5-Amino-6-(ethylamino)-4(3h)-pyrimidinone
CID 135786481
Pyrimidine, 4,5-bisethylamino-6-hydroxy-
CID 135814991
5-amino-4-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 135786483
9-Propan-2-yl-8lambda3-ioda-2,4,7,9-tetrazabicyclo[4.3.0]nona-1(6),2,7-trien-5-one
CID 164094912
5-amino-4-(butan-2-ylamino)-1H-pyrimidin-6-one
CID 135575730
6-Methyl-3,5,6,8-tetrahydropteridine-4,7-dione
CID 135755331
5-amino-4-(propylamino)-1H-pyrimidin-6-one
CID 135786482
2-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136713544
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide
CID 136713548
N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
CID 136713574
2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136784837
N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide
CID 136915074

Frequently Asked Questions

What is the IUPAC name of 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The IUPAC name of 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (CID 136956121) is 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is CC(Nc1nc[nH]c(=O)c1I)C(N)=O.
What is the InChIKey of 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The InChIKey is XEGJUFDOROEKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN4O2/c1-3(5(9)13)12-6-4(8)7(14)11-2-10-6/h2-3H,1H3,(H2,9,13)(H2,10,11,12,14).
What are the key properties of 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide has a molecular weight of 308.08 g/mol, XLogP of -0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 136956121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).