N-[2-[(5-iodopyrimidin-4-yl)amino]ethyl]acetamide

C8H11IN4O — CID 66340325

IUPACN-[2-[(5-iodopyrimidin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ncncc1I
InChIInChI=1S/C8H11IN4O/c1-6(14)11-2-3-12-8-7(9)4-10-5-13-8/h4-5H,2-3H2,1H3,(H,11,14)(H,10,12,13)
InChIKeyLALDVQDGWFPYSO-UHFFFAOYSA-N
MW306.11 g/mol
LogP0.63
Rot. Bonds4

About N-[2-[(5-iodopyrimidin-4-yl)amino]ethyl]acetamide

N-[2-[(5-iodopyrimidin-4-yl)amino]ethyl]acetamide (PubChem CID 66340325) has the molecular formula C8H11IN4O and a molecular weight of 306.11 g/mol. Its IUPAC name is N-[2-[(5-iodopyrimidin-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-iodopyrimidin-4-yl)amino]ethyl]acetamide
PubChem CID66340325
Molecular FormulaC8H11IN4O
Molecular Weight306.11 g/mol
Exact Mass306.00
IUPAC NameN-[2-[(5-iodopyrimidin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ncncc1I
InChIInChI=1S/C8H11IN4O/c1-6(14)11-2-3-12-8-7(9)4-10-5-13-8/h4-5H,2-3H2,1H3,(H,11,14)(H,10,12,13)
InChIKeyLALDVQDGWFPYSO-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5-aminopyrimidin-4-yl)amino]ethyl]acetamide
CID 79917896
N-butyl-5-iodopyrimidin-4-amine
CID 65418648
3-[(5-iodopyrimidin-4-yl)amino]propan-1-ol
CID 66340103
2-[(5-iodopyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106337621
3-[(5-iodopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106278251
N-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]acetamide
CID 63207920
N-cyclopropyl-4-[(5-iodopyrimidin-4-yl)amino]butanamide
CID 79401058
2-[(5-iodopyrimidin-4-yl)amino]-2-methylpropanamide
CID 66340117
tert-butyl N-[2-[(5-bromopyrimidin-4-yl)amino]ethyl]carbamate
CID 115714879
N-[2-[(6-amino-5-ethylpyrimidin-4-yl)amino]ethyl]acetamide
CID 80788685
(5-iodopyrimidin-4-yl)carbamic acid
CID 18617667
N-[2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide
CID 110430172

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-iodopyrimidin-4-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(5-iodopyrimidin-4-yl)amino]ethyl]acetamide (CID 66340325) is N-[2-[(5-iodopyrimidin-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(5-iodopyrimidin-4-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(5-iodopyrimidin-4-yl)amino]ethyl]acetamide is CC(=O)NCCNc1ncncc1I.
What is the InChIKey of N-[2-[(5-iodopyrimidin-4-yl)amino]ethyl]acetamide?
The InChIKey is LALDVQDGWFPYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN4O/c1-6(14)11-2-3-12-8-7(9)4-10-5-13-8/h4-5H,2-3H2,1H3,(H,11,14)(H,10,12,13).
What are the key properties of N-[2-[(5-iodopyrimidin-4-yl)amino]ethyl]acetamide?
N-[2-[(5-iodopyrimidin-4-yl)amino]ethyl]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-[2-[(5-iodopyrimidin-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 66340325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).