3-[[(5-iodopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol

C10H14IN3O — CID 66320423

IUPAC3-[[(5-iodopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCN(CC1CC(O)C1)c1ncncc1I
InChIInChI=1S/C10H14IN3O/c1-14(5-7-2-8(15)3-7)10-9(11)4-12-6-13-10/h4,6-8,15H,2-3,5H2,1H3
InChIKeyFEWQWZLRNAPMRE-UHFFFAOYSA-N
MW319.15 g/mol
LogP1.29
Rot. Bonds3

About 3-[[(5-iodopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol

3-[[(5-iodopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol (PubChem CID 66320423) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is 3-[[(5-iodopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(5-iodopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
PubChem CID66320423
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name3-[[(5-iodopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCN(CC1CC(O)C1)c1ncncc1I
InChIInChI=1S/C10H14IN3O/c1-14(5-7-2-8(15)3-7)10-9(11)4-12-6-13-10/h4,6-8,15H,2-3,5H2,1H3
InChIKeyFEWQWZLRNAPMRE-UHFFFAOYSA-N
XLogP1.29
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 51.29
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

5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106642624
3-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 102809546
3-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80856418
4-[cyclopropylmethyl(methyl)amino]pyrimidine-5-carbonitrile
CID 126979906
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-iodo-N-methylpyrimidin-4-amine
CID 105420240
3-[[[5-(aminomethyl)-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
CID 80636101
3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol
CID 104506975
5-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 66319979
N-(2-ethoxyethyl)-5-iodo-N-methylpyrimidin-4-amine
CID 81061842
3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80921680
4-[cyclopentylmethyl(methyl)amino]pyrimidine-5-carboxylic acid
CID 115148973
5-iodo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine
CID 66340189

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-iodopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(5-iodopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol (CID 66320423) is 3-[[(5-iodopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(5-iodopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(5-iodopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol is CN(CC1CC(O)C1)c1ncncc1I.
What is the InChIKey of 3-[[(5-iodopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is FEWQWZLRNAPMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c1-14(5-7-2-8(15)3-7)10-9(11)4-12-6-13-10/h4,6-8,15H,2-3,5H2,1H3.
What are the key properties of 3-[[(5-iodopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
3-[[(5-iodopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 319.15 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-iodopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66320423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).