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

C9H13IN4O2 — CID 136956139

IUPAC2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C9H13IN4O2/c1-5(2)14-6(15)3-11-8-7(10)9(16)13-4-12-8/h4-5H,3H2,1-2H3,(H,14,15)(H2,11,12,13,16)
InChIKeyHZTMYBQXDKIYLW-UHFFFAOYSA-N
MW336.13 g/mol
LogP0.31
Rot. Bonds4

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

2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylacetamide (PubChem CID 136956139) 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-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylacetamide
PubChem CID136956139
Molecular FormulaC9H13IN4O2
Molecular Weight336.13 g/mol
Exact Mass336.01
IUPAC Name2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C9H13IN4O2/c1-5(2)14-6(15)3-11-8-7(10)9(16)13-4-12-8/h4-5H,3H2,1-2H3,(H,14,15)(H2,11,12,13,16)
InChIKeyHZTMYBQXDKIYLW-UHFFFAOYSA-N
XLogP0.31
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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
Pyrimidine, 5-diethylamino-4-ethylamino-6-hydroxy-
CID 171384170
N-(4-Amino-6-oxo-1,6-dihydropyrimidin-5-YL)acetamide
CID 135441457
5-amino-4-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 135786483
N-[4-(acetylamino)-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl]acetamide
CID 816949
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-pentan-3-ylacetamide
CID 66309492
2-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
CID 66310768
N-carbamoyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66339990
5-Iodo-6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
CID 66340444
N-ethyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66340862

Frequently Asked Questions

What is the IUPAC name of 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylacetamide (CID 136956139) is 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1nc[nH]c(=O)c1I.
What is the InChIKey of 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is HZTMYBQXDKIYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN4O2/c1-5(2)14-6(15)3-11-8-7(10)9(16)13-4-12-8/h4-5H,3H2,1-2H3,(H,14,15)(H2,11,12,13,16).
What are the key properties of 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 336.13 g/mol, XLogP of 0.31, 4 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-propan-2-ylacetamide is sourced from PubChem (CID 136956139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).