5-bromo-4-methoxy-2-[(3S)-piperidin-3-yl]oxypyrimidine

C10H14BrN3O2 — CID 106999610

IUPAC5-bromo-4-methoxy-2-[(3S)-piperidin-3-yl]oxypyrimidine
SMILESCOc1nc(O[C@H]2CCCNC2)ncc1Br
InChIInChI=1S/C10H14BrN3O2/c1-15-9-8(11)6-13-10(14-9)16-7-3-2-4-12-5-7/h6-7,12H,2-5H2,1H3/t7-/m0/s1
InChIKeyGGMCYSVHAYNNNT-ZETCQYMHSA-N
MW288.14 g/mol
LogP1.38
Rot. Bonds3

About 5-bromo-4-methoxy-2-[(3S)-piperidin-3-yl]oxypyrimidine

5-bromo-4-methoxy-2-[(3S)-piperidin-3-yl]oxypyrimidine (PubChem CID 106999610) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 5-bromo-4-methoxy-2-[(3S)-piperidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name5-bromo-4-methoxy-2-[(3S)-piperidin-3-yl]oxypyrimidine
PubChem CID106999610
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name5-bromo-4-methoxy-2-[(3S)-piperidin-3-yl]oxypyrimidine
SMILESCOc1nc(O[C@H]2CCCNC2)ncc1Br
InChIInChI=1S/C10H14BrN3O2/c1-15-9-8(11)6-13-10(14-9)16-7-3-2-4-12-5-7/h6-7,12H,2-5H2,1H3/t7-/m0/s1
InChIKeyGGMCYSVHAYNNNT-ZETCQYMHSA-N
XLogP1.38
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-2-[(3S)-piperidin-3-yl]oxypyrimidine?
The IUPAC name of 5-bromo-4-methoxy-2-[(3S)-piperidin-3-yl]oxypyrimidine (CID 106999610) is 5-bromo-4-methoxy-2-[(3S)-piperidin-3-yl]oxypyrimidine.
What is the SMILES notation for 5-bromo-4-methoxy-2-[(3S)-piperidin-3-yl]oxypyrimidine?
The canonical SMILES for 5-bromo-4-methoxy-2-[(3S)-piperidin-3-yl]oxypyrimidine is COc1nc(O[C@H]2CCCNC2)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-2-[(3S)-piperidin-3-yl]oxypyrimidine?
The InChIKey is GGMCYSVHAYNNNT-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-15-9-8(11)6-13-10(14-9)16-7-3-2-4-12-5-7/h6-7,12H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of 5-bromo-4-methoxy-2-[(3S)-piperidin-3-yl]oxypyrimidine?
5-bromo-4-methoxy-2-[(3S)-piperidin-3-yl]oxypyrimidine has a molecular weight of 288.14 g/mol, XLogP of 1.38, 3 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-[(3S)-piperidin-3-yl]oxypyrimidine is sourced from PubChem (CID 106999610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).