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

C9H13IN4O2 — CID 136956129

IUPAC2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C9H13IN4O2/c1-2-3-11-6(15)4-12-8-7(10)9(16)14-5-13-8/h5H,2-4H2,1H3,(H,11,15)(H2,12,13,14,16)
InChIKeyJXJZMRLHDGZSHG-UHFFFAOYSA-N
MW336.13 g/mol
LogP0.31
Rot. Bonds5

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

2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide (PubChem CID 136956129) has the molecular formula C9H13IN4O2 and a molecular weight of 336.13 g/mol. Its IUPAC name is 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide
PubChem CID136956129
Molecular FormulaC9H13IN4O2
Molecular Weight336.13 g/mol
Exact Mass336.01
IUPAC Name2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C9H13IN4O2/c1-2-3-11-6(15)4-12-8-7(10)9(16)14-5-13-8/h5H,2-4H2,1H3,(H,11,15)(H2,12,13,14,16)
InChIKeyJXJZMRLHDGZSHG-UHFFFAOYSA-N
XLogP0.31
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.13
LogP ≤ 50.31
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

Pyrimidine, 4,5-bisethylamino-6-hydroxy-
CID 135814991
2-(5-iodo-6-oxopyrimidin-1-yl)-N-propylacetamide
CID 66307801
N-butyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66307812
N-butan-2-yl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66308230
N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66309054
2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
CID 66309288
2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 66310771
N-(2-cyanoethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66310996
N-carbamoyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66339990
N-ethyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66340862
N-(cyanomethyl)-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66341097
N-butyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66341550

Frequently Asked Questions

What is the IUPAC name of 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide (CID 136956129) is 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide is CCCNC(=O)CNc1nc[nH]c(=O)c1I.
What is the InChIKey of 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide?
The InChIKey is JXJZMRLHDGZSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN4O2/c1-2-3-11-6(15)4-12-8-7(10)9(16)14-5-13-8/h5H,2-4H2,1H3,(H,11,15)(H2,12,13,14,16).
What are the key properties of 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide?
2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide has a molecular weight of 336.13 g/mol, XLogP of 0.31, 5 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]-N-propylacetamide is sourced from PubChem (CID 136956129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).