5-iodo-4-(piperidin-3-ylmethoxy)pyrimidine

C10H14IN3O — CID 66321144

IUPAC5-iodo-4-(piperidin-3-ylmethoxy)pyrimidine
SMILESIc1cncnc1OCC1CCCNC1
InChIInChI=1S/C10H14IN3O/c11-9-5-13-7-14-10(9)15-6-8-2-1-3-12-4-8/h5,7-8,12H,1-4,6H2
InChIKeyRUGNVMJFXPJTTM-UHFFFAOYSA-N
MW319.15 g/mol
LogP1.46
Rot. Bonds3

About 5-iodo-4-(piperidin-3-ylmethoxy)pyrimidine

5-iodo-4-(piperidin-3-ylmethoxy)pyrimidine (PubChem CID 66321144) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is 5-iodo-4-(piperidin-3-ylmethoxy)pyrimidine.

Molecular Properties

Compound Name5-iodo-4-(piperidin-3-ylmethoxy)pyrimidine
PubChem CID66321144
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name5-iodo-4-(piperidin-3-ylmethoxy)pyrimidine
SMILESIc1cncnc1OCC1CCCNC1
InChIInChI=1S/C10H14IN3O/c11-9-5-13-7-14-10(9)15-6-8-2-1-3-12-4-8/h5,7-8,12H,1-4,6H2
InChIKeyRUGNVMJFXPJTTM-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
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-4-(pyrrolidin-3-ylmethoxy)pyrimidine
CID 66317968
5-iodo-4-(2-pyrrolidin-3-ylethoxy)pyrimidine
CID 114796262
5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106642624
2-[[(3R)-piperidin-3-yl]methoxy]pyrimidine
CID 86318074
2-methyl-3-(piperidin-3-ylmethoxy)quinoxaline
CID 55067629
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
2-(piperidin-3-ylmethoxy)pyridine-3-carboxamide
CID 55065117
2-ethoxy-3-(piperidin-3-ylmethoxy)quinoxaline
CID 71639733
3-[[(3S)-piperidin-3-yl]methoxy]quinoxalin-2-amine
CID 97165192
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
5-bromo-2-(piperidin-3-ylmethoxy)pyridine;hydrochloride
CID 71303667
5-methyl-3-nitro-2-(piperidin-3-ylmethoxy)pyridine
CID 66277883

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(piperidin-3-ylmethoxy)pyrimidine?
The IUPAC name of 5-iodo-4-(piperidin-3-ylmethoxy)pyrimidine (CID 66321144) is 5-iodo-4-(piperidin-3-ylmethoxy)pyrimidine.
What is the SMILES notation for 5-iodo-4-(piperidin-3-ylmethoxy)pyrimidine?
The canonical SMILES for 5-iodo-4-(piperidin-3-ylmethoxy)pyrimidine is Ic1cncnc1OCC1CCCNC1.
What is the InChIKey of 5-iodo-4-(piperidin-3-ylmethoxy)pyrimidine?
The InChIKey is RUGNVMJFXPJTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c11-9-5-13-7-14-10(9)15-6-8-2-1-3-12-4-8/h5,7-8,12H,1-4,6H2.
What are the key properties of 5-iodo-4-(piperidin-3-ylmethoxy)pyrimidine?
5-iodo-4-(piperidin-3-ylmethoxy)pyrimidine has a molecular weight of 319.15 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(piperidin-3-ylmethoxy)pyrimidine is sourced from PubChem (CID 66321144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).