2-(ethoxymethyl)-5-iodopyrimidin-4-amine

C7H10IN3O — CID 66303101

IUPAC2-(ethoxymethyl)-5-iodopyrimidin-4-amine
SMILESCCOCc1ncc(I)c(N)n1
InChIInChI=1S/C7H10IN3O/c1-2-12-4-6-10-3-5(8)7(9)11-6/h3H,2,4H2,1H3,(H2,9,10,11)
InChIKeyCGVLNTXDGJDHBN-UHFFFAOYSA-N
MW279.08 g/mol
LogP1.20
Rot. Bonds3

About 2-(ethoxymethyl)-5-iodopyrimidin-4-amine

2-(ethoxymethyl)-5-iodopyrimidin-4-amine (PubChem CID 66303101) has the molecular formula C7H10IN3O and a molecular weight of 279.08 g/mol. Its IUPAC name is 2-(ethoxymethyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-5-iodopyrimidin-4-amine
PubChem CID66303101
Molecular FormulaC7H10IN3O
Molecular Weight279.08 g/mol
Exact Mass278.99
IUPAC Name2-(ethoxymethyl)-5-iodopyrimidin-4-amine
SMILESCCOCc1ncc(I)c(N)n1
InChIInChI=1S/C7H10IN3O/c1-2-12-4-6-10-3-5(8)7(9)11-6/h3H,2,4H2,1H3,(H2,9,10,11)
InChIKeyCGVLNTXDGJDHBN-UHFFFAOYSA-N
XLogP1.20
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(ethoxymethyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66303519
ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate
CID 116646813
2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine
CID 116729831
2-(4-ethoxyphenyl)-5-iodopyrimidin-4-amine
CID 66297425
5-tert-butyl-2-(ethoxymethyl)pyrimidine
CID 165371921
5-iodo-2-(2-phenylethyl)pyrimidin-4-amine
CID 66303498
5-(ethoxymethyl)-2-methylpyrimidin-4-amine;hydrochloride
CID 159577118
2-chloro-5-(ethoxymethyl)pyrimidin-4-amine
CID 170969920
5-(ethoxymethyl)-2-methyl-1,2,4-triazol-3-amine
CID 104605270
2-(3-ethoxyphenyl)-5-iodopyrimidin-4-amine
CID 66302482
2-(ethoxymethyl)-5-iodo-1H-pyrimidin-6-one
CID 66316585
4-amino-2-(ethoxymethyl)-6-methylpyrimidine-5-carbonitrile
CID 116647044

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-5-iodopyrimidin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-5-iodopyrimidin-4-amine (CID 66303101) is 2-(ethoxymethyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-5-iodopyrimidin-4-amine is CCOCc1ncc(I)c(N)n1.
What is the InChIKey of 2-(ethoxymethyl)-5-iodopyrimidin-4-amine?
The InChIKey is CGVLNTXDGJDHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10IN3O/c1-2-12-4-6-10-3-5(8)7(9)11-6/h3H,2,4H2,1H3,(H2,9,10,11).
What are the key properties of 2-(ethoxymethyl)-5-iodopyrimidin-4-amine?
2-(ethoxymethyl)-5-iodopyrimidin-4-amine has a molecular weight of 279.08 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66303101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).