5-bromo-4-methoxy-2-(2-piperidin-3-ylethoxy)pyrimidine

C12H18BrN3O2 — CID 106999595

IUPAC5-bromo-4-methoxy-2-(2-piperidin-3-ylethoxy)pyrimidine
SMILESCOc1nc(OCCC2CCCNC2)ncc1Br
InChIInChI=1S/C12H18BrN3O2/c1-17-11-10(13)8-15-12(16-11)18-6-4-9-3-2-5-14-7-9/h8-9,14H,2-7H2,1H3
InChIKeyZNVODOMJVYMIIL-UHFFFAOYSA-N
MW316.20 g/mol
LogP2.02
Rot. Bonds5

About 5-bromo-4-methoxy-2-(2-piperidin-3-ylethoxy)pyrimidine

5-bromo-4-methoxy-2-(2-piperidin-3-ylethoxy)pyrimidine (PubChem CID 106999595) has the molecular formula C12H18BrN3O2 and a molecular weight of 316.20 g/mol. Its IUPAC name is 5-bromo-4-methoxy-2-(2-piperidin-3-ylethoxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-methoxy-2-(2-piperidin-3-ylethoxy)pyrimidine
PubChem CID106999595
Molecular FormulaC12H18BrN3O2
Molecular Weight316.20 g/mol
Exact Mass315.06
IUPAC Name5-bromo-4-methoxy-2-(2-piperidin-3-ylethoxy)pyrimidine
SMILESCOc1nc(OCCC2CCCNC2)ncc1Br
InChIInChI=1S/C12H18BrN3O2/c1-17-11-10(13)8-15-12(16-11)18-6-4-9-3-2-5-14-7-9/h8-9,14H,2-7H2,1H3
InChIKeyZNVODOMJVYMIIL-UHFFFAOYSA-N
XLogP2.02
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-methoxy-2-[(3S)-piperidin-3-yl]oxypyrimidine
CID 106999610
5-fluoro-2-[2-[(3R)-piperidin-3-yl]ethoxy]pyrimidine
CID 97165134
5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethoxy)pyrimidine
CID 106999581
5-bromo-3-chloro-2-(2-piperidin-3-ylethoxy)pyridine
CID 103583976
(3R)-3-[2-(2-bromophenoxy)ethyl]piperidine
CID 86320898
(3S)-3-[2-(2-bromophenoxy)ethyl]piperidine
CID 86320896
2-methyl-3-[2-[(3R)-piperidin-3-yl]ethoxy]pyrazine
CID 97163244
2-methoxy-3-[3-[(3S)-piperidin-3-yl]propoxy]quinoxaline
CID 97164923
3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine
CID 62356017
(3S)-3-[2-(3-bromo-2-methylphenoxy)ethyl]piperidine
CID 170321208
5-bromo-2-(2-piperidin-3-ylethoxy)-3-(trifluoromethyl)pyridine
CID 106796833
5-bromo-2-(2-butoxyethoxy)-4-methoxypyrimidine
CID 106999157

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-2-(2-piperidin-3-ylethoxy)pyrimidine?
The IUPAC name of 5-bromo-4-methoxy-2-(2-piperidin-3-ylethoxy)pyrimidine (CID 106999595) is 5-bromo-4-methoxy-2-(2-piperidin-3-ylethoxy)pyrimidine.
What is the SMILES notation for 5-bromo-4-methoxy-2-(2-piperidin-3-ylethoxy)pyrimidine?
The canonical SMILES for 5-bromo-4-methoxy-2-(2-piperidin-3-ylethoxy)pyrimidine is COc1nc(OCCC2CCCNC2)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-2-(2-piperidin-3-ylethoxy)pyrimidine?
The InChIKey is ZNVODOMJVYMIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2/c1-17-11-10(13)8-15-12(16-11)18-6-4-9-3-2-5-14-7-9/h8-9,14H,2-7H2,1H3.
What are the key properties of 5-bromo-4-methoxy-2-(2-piperidin-3-ylethoxy)pyrimidine?
5-bromo-4-methoxy-2-(2-piperidin-3-ylethoxy)pyrimidine has a molecular weight of 316.20 g/mol, XLogP of 2.02, 5 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-(2-piperidin-3-ylethoxy)pyrimidine is sourced from PubChem (CID 106999595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).