5-iodo-2-(2-methylfuran-3-yl)pyrimidin-4-amine

C9H8IN3O — CID 104790716

IUPAC5-iodo-2-(2-methylfuran-3-yl)pyrimidin-4-amine
SMILESCc1occc1-c1ncc(I)c(N)n1
InChIInChI=1S/C9H8IN3O/c1-5-6(2-3-14-5)9-12-4-7(10)8(11)13-9/h2-4H,1H3,(H2,11,12,13)
InChIKeyQNCPRCHTHWJPCG-UHFFFAOYSA-N
MW301.09 g/mol
LogP2.23
Rot. Bonds1

About 5-iodo-2-(2-methylfuran-3-yl)pyrimidin-4-amine

5-iodo-2-(2-methylfuran-3-yl)pyrimidin-4-amine (PubChem CID 104790716) has the molecular formula C9H8IN3O and a molecular weight of 301.09 g/mol. Its IUPAC name is 5-iodo-2-(2-methylfuran-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(2-methylfuran-3-yl)pyrimidin-4-amine
PubChem CID104790716
Molecular FormulaC9H8IN3O
Molecular Weight301.09 g/mol
Exact Mass300.97
IUPAC Name5-iodo-2-(2-methylfuran-3-yl)pyrimidin-4-amine
SMILESCc1occc1-c1ncc(I)c(N)n1
InChIInChI=1S/C9H8IN3O/c1-5-6(2-3-14-5)9-12-4-7(10)8(11)13-9/h2-4H,1H3,(H2,11,12,13)
InChIKeyQNCPRCHTHWJPCG-UHFFFAOYSA-N
XLogP2.23
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.09
LogP ≤ 52.23
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

4-(2-methylfuran-3-yl)-1,3,5-triazin-2-amine
CID 104791061
5-(bromomethyl)-4-methyl-2-(2-methylfuran-3-yl)pyrimidine
CID 130483314
2-(2-methylfuran-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 113453444
2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine
CID 66295881
[4-cyclopropyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]methanol
CID 114205160
N-[[5-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine
CID 114245237
2-(3-fluoro-4-methylphenyl)-5-iodopyrimidin-4-amine
CID 66303715
2-(4-bromophenyl)-5-iodopyrimidin-4-amine
CID 66304324
2-(2-methylfuran-3-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 104790568
2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-4-amine
CID 83094218
4-(2-methylfuran-3-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 104791064
5-iodo-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine
CID 66297619

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(2-methylfuran-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(2-methylfuran-3-yl)pyrimidin-4-amine (CID 104790716) is 5-iodo-2-(2-methylfuran-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(2-methylfuran-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(2-methylfuran-3-yl)pyrimidin-4-amine is Cc1occc1-c1ncc(I)c(N)n1.
What is the InChIKey of 5-iodo-2-(2-methylfuran-3-yl)pyrimidin-4-amine?
The InChIKey is QNCPRCHTHWJPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN3O/c1-5-6(2-3-14-5)9-12-4-7(10)8(11)13-9/h2-4H,1H3,(H2,11,12,13).
What are the key properties of 5-iodo-2-(2-methylfuran-3-yl)pyrimidin-4-amine?
5-iodo-2-(2-methylfuran-3-yl)pyrimidin-4-amine has a molecular weight of 301.09 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(2-methylfuran-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 104790716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).