N-ethyl-2-[(5-iodopyrimidin-2-yl)amino]acetamide

C8H11IN4O — CID 104839942

IUPACN-ethyl-2-[(5-iodopyrimidin-2-yl)amino]acetamide
SMILESCCNC(=O)CNc1ncc(I)cn1
InChIInChI=1S/C8H11IN4O/c1-2-10-7(14)5-13-8-11-3-6(9)4-12-8/h3-4H,2,5H2,1H3,(H,10,14)(H,11,12,13)
InChIKeyYUPYBOHQNQKHJC-UHFFFAOYSA-N
MW306.11 g/mol
LogP0.63
Rot. Bonds4

About N-ethyl-2-[(5-iodopyrimidin-2-yl)amino]acetamide

N-ethyl-2-[(5-iodopyrimidin-2-yl)amino]acetamide (PubChem CID 104839942) has the molecular formula C8H11IN4O and a molecular weight of 306.11 g/mol. Its IUPAC name is N-ethyl-2-[(5-iodopyrimidin-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(5-iodopyrimidin-2-yl)amino]acetamide
PubChem CID104839942
Molecular FormulaC8H11IN4O
Molecular Weight306.11 g/mol
Exact Mass306.00
IUPAC NameN-ethyl-2-[(5-iodopyrimidin-2-yl)amino]acetamide
SMILESCCNC(=O)CNc1ncc(I)cn1
InChIInChI=1S/C8H11IN4O/c1-2-10-7(14)5-13-8-11-3-6(9)4-12-8/h3-4H,2,5H2,1H3,(H,10,14)(H,11,12,13)
InChIKeyYUPYBOHQNQKHJC-UHFFFAOYSA-N
XLogP0.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.11
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-iodopyrimidin-2-yl)amino]-N,N-dimethylacetamide
CID 104839937
N-ethyl-2-[ethyl-(5-iodopyrimidin-2-yl)amino]acetamide
CID 104839933
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-ethylacetamide
CID 43420785
2-[(5-bromopyrimidin-2-yl)amino]-N-propylacetamide
CID 63872824
2-[(4-amino-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
CID 126979187
2-[(5,6-dimethylpyrazin-2-yl)amino]-N-ethylacetamide
CID 114475330
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide
CID 80786906
N-ethyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide
CID 60732159
N-ethyl-2-(1,3-thiazol-2-ylamino)acetamide
CID 43399053
N-ethyl-2-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetamide
CID 80787425
N-ethyl-2-[[6-(methylamino)pyrazin-2-yl]amino]acetamide
CID 80787936
N-ethyl-2-[(4-propan-2-yloxypyrimidin-2-yl)amino]acetamide
CID 112636787

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-iodopyrimidin-2-yl)amino]acetamide?
The IUPAC name of N-ethyl-2-[(5-iodopyrimidin-2-yl)amino]acetamide (CID 104839942) is N-ethyl-2-[(5-iodopyrimidin-2-yl)amino]acetamide.
What is the SMILES notation for N-ethyl-2-[(5-iodopyrimidin-2-yl)amino]acetamide?
The canonical SMILES for N-ethyl-2-[(5-iodopyrimidin-2-yl)amino]acetamide is CCNC(=O)CNc1ncc(I)cn1.
What is the InChIKey of N-ethyl-2-[(5-iodopyrimidin-2-yl)amino]acetamide?
The InChIKey is YUPYBOHQNQKHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN4O/c1-2-10-7(14)5-13-8-11-3-6(9)4-12-8/h3-4H,2,5H2,1H3,(H,10,14)(H,11,12,13).
What are the key properties of N-ethyl-2-[(5-iodopyrimidin-2-yl)amino]acetamide?
N-ethyl-2-[(5-iodopyrimidin-2-yl)amino]acetamide has a molecular weight of 306.11 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-iodopyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 104839942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).