5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethoxy)pyrimidine

C10H14BrN3O2 — CID 106999581

IUPAC5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethoxy)pyrimidine
SMILESCOc1nc(OCC2CCCN2)ncc1Br
InChIInChI=1S/C10H14BrN3O2/c1-15-9-8(11)5-13-10(14-9)16-6-7-3-2-4-12-7/h5,7,12H,2-4,6H2,1H3
InChIKeyZVAMISZUKZMPTQ-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.38
Rot. Bonds4

About 5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethoxy)pyrimidine

5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethoxy)pyrimidine (PubChem CID 106999581) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethoxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethoxy)pyrimidine
PubChem CID106999581
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethoxy)pyrimidine
SMILESCOc1nc(OCC2CCCN2)ncc1Br
InChIInChI=1S/C10H14BrN3O2/c1-15-9-8(11)5-13-10(14-9)16-6-7-3-2-4-12-7/h5,7,12H,2-4,6H2,1H3
InChIKeyZVAMISZUKZMPTQ-UHFFFAOYSA-N
XLogP1.38
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-methyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyrimidine
CID 97163146
5-bromo-4-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106998327
5-bromo-4-methoxy-2-(2-piperidin-3-ylethoxy)pyrimidine
CID 106999595
5-bromo-4-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106998331
5-bromo-4-methoxy-2-[(3S)-piperidin-3-yl]oxypyrimidine
CID 106999610
5-bromo-N-cyclopropyl-4-methoxy-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 106998335
2-methoxy-3-(pyrrolidin-2-ylmethoxy)pyridine
CID 122208651
5-bromo-4-methoxy-2-(oxolan-3-ylmethoxy)pyrimidine
CID 106999301
5-iodo-2-(piperidin-2-ylmethoxy)pyrimidine
CID 116649393
5-[[(2R)-azetidin-2-yl]methoxy]-3-bromo-2-methoxypyridine
CID 142643453
5-fluoro-2-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride
CID 71643590
5-bromo-2-(pyrrolidin-2-ylmethoxy)pyridine
CID 62347925

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethoxy)pyrimidine?
The IUPAC name of 5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethoxy)pyrimidine (CID 106999581) is 5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethoxy)pyrimidine.
What is the SMILES notation for 5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethoxy)pyrimidine?
The canonical SMILES for 5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethoxy)pyrimidine is COc1nc(OCC2CCCN2)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethoxy)pyrimidine?
The InChIKey is ZVAMISZUKZMPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-15-9-8(11)5-13-10(14-9)16-6-7-3-2-4-12-7/h5,7,12H,2-4,6H2,1H3.
What are the key properties of 5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethoxy)pyrimidine?
5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethoxy)pyrimidine has a molecular weight of 288.14 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethoxy)pyrimidine is sourced from PubChem (CID 106999581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).