5-iodo-4-(2-pyrrolidin-3-ylethoxy)pyrimidine

C10H14IN3O — CID 114796262

IUPAC5-iodo-4-(2-pyrrolidin-3-ylethoxy)pyrimidine
SMILESIc1cncnc1OCCC1CCNC1
InChIInChI=1S/C10H14IN3O/c11-9-6-13-7-14-10(9)15-4-2-8-1-3-12-5-8/h6-8,12H,1-5H2
InChIKeyHYWPIFPLHNNWHW-UHFFFAOYSA-N
MW319.15 g/mol
LogP1.46
Rot. Bonds4

About 5-iodo-4-(2-pyrrolidin-3-ylethoxy)pyrimidine

5-iodo-4-(2-pyrrolidin-3-ylethoxy)pyrimidine (PubChem CID 114796262) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is 5-iodo-4-(2-pyrrolidin-3-ylethoxy)pyrimidine.

Molecular Properties

Compound Name5-iodo-4-(2-pyrrolidin-3-ylethoxy)pyrimidine
PubChem CID114796262
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name5-iodo-4-(2-pyrrolidin-3-ylethoxy)pyrimidine
SMILESIc1cncnc1OCCC1CCNC1
InChIInChI=1S/C10H14IN3O/c11-9-6-13-7-14-10(9)15-4-2-8-1-3-12-5-8/h6-8,12H,1-5H2
InChIKeyHYWPIFPLHNNWHW-UHFFFAOYSA-N
XLogP1.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-(piperidin-3-ylmethoxy)pyrimidine
CID 66321144
3-chloro-2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)pyridine
CID 114796299
5-chloro-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796574
3-chloro-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796420
3-bromo-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796523
4-(2-cyclopropylethoxy)pyrimidin-5-amine
CID 106199537
6-(2-pyrrolidin-3-ylethoxy)-2H-1,2,4-triazine-3,5-dione
CID 114796594
5-methoxy-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796589
5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106642624
3-ethoxy-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796289
6-methyl-2-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide
CID 114796426

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(2-pyrrolidin-3-ylethoxy)pyrimidine?
The IUPAC name of 5-iodo-4-(2-pyrrolidin-3-ylethoxy)pyrimidine (CID 114796262) is 5-iodo-4-(2-pyrrolidin-3-ylethoxy)pyrimidine.
What is the SMILES notation for 5-iodo-4-(2-pyrrolidin-3-ylethoxy)pyrimidine?
The canonical SMILES for 5-iodo-4-(2-pyrrolidin-3-ylethoxy)pyrimidine is Ic1cncnc1OCCC1CCNC1.
What is the InChIKey of 5-iodo-4-(2-pyrrolidin-3-ylethoxy)pyrimidine?
The InChIKey is HYWPIFPLHNNWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c11-9-6-13-7-14-10(9)15-4-2-8-1-3-12-5-8/h6-8,12H,1-5H2.
What are the key properties of 5-iodo-4-(2-pyrrolidin-3-ylethoxy)pyrimidine?
5-iodo-4-(2-pyrrolidin-3-ylethoxy)pyrimidine has a molecular weight of 319.15 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(2-pyrrolidin-3-ylethoxy)pyrimidine is sourced from PubChem (CID 114796262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).