5-bromo-2-[4-(2-butan-2-ylphenoxy)piperidin-1-yl]pyrimidine

C19H24BrN3O — CID 68711846

IUPAC5-bromo-2-[4-(2-butan-2-ylphenoxy)piperidin-1-yl]pyrimidine
SMILESCCC(C)c1ccccc1OC1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C19H24BrN3O/c1-3-14(2)17-6-4-5-7-18(17)24-16-8-10-23(11-9-16)19-21-12-15(20)13-22-19/h4-7,12-14,16H,3,8-11H2,1-2H3
InChIKeyBNYGYVBHCSUQPC-UHFFFAOYSA-N
MW390.33 g/mol
LogP4.80
Rot. Bonds5

About 5-bromo-2-[4-(2-butan-2-ylphenoxy)piperidin-1-yl]pyrimidine

5-bromo-2-[4-(2-butan-2-ylphenoxy)piperidin-1-yl]pyrimidine (PubChem CID 68711846) has the molecular formula C19H24BrN3O and a molecular weight of 390.33 g/mol. Its IUPAC name is 5-bromo-2-[4-(2-butan-2-ylphenoxy)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-[4-(2-butan-2-ylphenoxy)piperidin-1-yl]pyrimidine
PubChem CID68711846
Molecular FormulaC19H24BrN3O
Molecular Weight390.33 g/mol
Exact Mass389.11
IUPAC Name5-bromo-2-[4-(2-butan-2-ylphenoxy)piperidin-1-yl]pyrimidine
SMILESCCC(C)c1ccccc1OC1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C19H24BrN3O/c1-3-14(2)17-6-4-5-7-18(17)24-16-8-10-23(11-9-16)19-21-12-15(20)13-22-19/h4-7,12-14,16H,3,8-11H2,1-2H3
InChIKeyBNYGYVBHCSUQPC-UHFFFAOYSA-N
XLogP4.80
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-(2-butan-2-ylphenoxy)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-bromo-2-[4-(2-butan-2-ylphenoxy)piperidin-1-yl]pyrimidine (CID 68711846) is 5-bromo-2-[4-(2-butan-2-ylphenoxy)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-bromo-2-[4-(2-butan-2-ylphenoxy)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-bromo-2-[4-(2-butan-2-ylphenoxy)piperidin-1-yl]pyrimidine is CCC(C)c1ccccc1OC1CCN(c2ncc(Br)cn2)CC1.
What is the InChIKey of 5-bromo-2-[4-(2-butan-2-ylphenoxy)piperidin-1-yl]pyrimidine?
The InChIKey is BNYGYVBHCSUQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O/c1-3-14(2)17-6-4-5-7-18(17)24-16-8-10-23(11-9-16)19-21-12-15(20)13-22-19/h4-7,12-14,16H,3,8-11H2,1-2H3.
What are the key properties of 5-bromo-2-[4-(2-butan-2-ylphenoxy)piperidin-1-yl]pyrimidine?
5-bromo-2-[4-(2-butan-2-ylphenoxy)piperidin-1-yl]pyrimidine has a molecular weight of 390.33 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[4-(2-butan-2-ylphenoxy)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 68711846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).