5-iodo-2-(piperidin-2-ylmethoxy)pyrimidine

C10H14IN3O — CID 116649393

IUPAC5-iodo-2-(piperidin-2-ylmethoxy)pyrimidine
SMILESIc1cnc(OCC2CCCCN2)nc1
InChIInChI=1S/C10H14IN3O/c11-8-5-13-10(14-6-8)15-7-9-3-1-2-4-12-9/h5-6,9,12H,1-4,7H2
InChIKeyWBXTWFZPNQNIFU-UHFFFAOYSA-N
MW319.15 g/mol
LogP1.60
Rot. Bonds3

About 5-iodo-2-(piperidin-2-ylmethoxy)pyrimidine

5-iodo-2-(piperidin-2-ylmethoxy)pyrimidine (PubChem CID 116649393) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is 5-iodo-2-(piperidin-2-ylmethoxy)pyrimidine.

Molecular Properties

Compound Name5-iodo-2-(piperidin-2-ylmethoxy)pyrimidine
PubChem CID116649393
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name5-iodo-2-(piperidin-2-ylmethoxy)pyrimidine
SMILESIc1cnc(OCC2CCCCN2)nc1
InChIInChI=1S/C10H14IN3O/c11-8-5-13-10(14-6-8)15-7-9-3-1-2-4-12-9/h5-6,9,12H,1-4,7H2
InChIKeyWBXTWFZPNQNIFU-UHFFFAOYSA-N
XLogP1.60
TPSA47.04 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 ≤ 51.60
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-fluoro-2-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride
CID 71643590
3-(piperidin-2-ylmethoxy)-1,2,4-benzotriazine
CID 103204981
4-chloro-5-methyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyrimidine
CID 97163146
5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethoxy)pyrimidine
CID 106999581
5-chloro-4-(piperidin-2-ylmethoxy)pyrimidine
CID 105370446
5-iodo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106618723
5-bromo-2-(pyrrolidin-2-ylmethoxy)pyridine
CID 62347925
3-bromo-4-methyl-5-nitro-2-(piperidin-2-ylmethoxy)pyridine
CID 104508429
3-chloro-6-[[(2R)-piperidin-2-yl]methoxy]pyridazine
CID 94407353
2-[(2,3,5,6-tetrafluorophenoxy)methyl]piperidine
CID 103289558
4-(piperidin-2-ylmethoxy)quinoline-3-carbonitrile
CID 62349565
2-(4-chlorophenyl)-5-(piperidin-2-ylmethoxy)pyrimidine
CID 117230889

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(piperidin-2-ylmethoxy)pyrimidine?
The IUPAC name of 5-iodo-2-(piperidin-2-ylmethoxy)pyrimidine (CID 116649393) is 5-iodo-2-(piperidin-2-ylmethoxy)pyrimidine.
What is the SMILES notation for 5-iodo-2-(piperidin-2-ylmethoxy)pyrimidine?
The canonical SMILES for 5-iodo-2-(piperidin-2-ylmethoxy)pyrimidine is Ic1cnc(OCC2CCCCN2)nc1.
What is the InChIKey of 5-iodo-2-(piperidin-2-ylmethoxy)pyrimidine?
The InChIKey is WBXTWFZPNQNIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c11-8-5-13-10(14-6-8)15-7-9-3-1-2-4-12-9/h5-6,9,12H,1-4,7H2.
What are the key properties of 5-iodo-2-(piperidin-2-ylmethoxy)pyrimidine?
5-iodo-2-(piperidin-2-ylmethoxy)pyrimidine has a molecular weight of 319.15 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(piperidin-2-ylmethoxy)pyrimidine is sourced from PubChem (CID 116649393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).