5-bromo-4-methyl-2-piperidin-1-ylpyrimidine

C10H14BrN3 — CID 82373594

IUPAC5-bromo-4-methyl-2-piperidin-1-ylpyrimidine
SMILESCc1nc(N2CCCCC2)ncc1Br
InChIInChI=1S/C10H14BrN3/c1-8-9(11)7-12-10(13-8)14-5-3-2-4-6-14/h7H,2-6H2,1H3
InChIKeyDOORWFNIHNTDCN-UHFFFAOYSA-N
MW256.15 g/mol
LogP2.54
Rot. Bonds1

About 5-bromo-4-methyl-2-piperidin-1-ylpyrimidine

5-bromo-4-methyl-2-piperidin-1-ylpyrimidine (PubChem CID 82373594) has the molecular formula C10H14BrN3 and a molecular weight of 256.15 g/mol. Its IUPAC name is 5-bromo-4-methyl-2-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-methyl-2-piperidin-1-ylpyrimidine
PubChem CID82373594
Molecular FormulaC10H14BrN3
Molecular Weight256.15 g/mol
Exact Mass255.04
IUPAC Name5-bromo-4-methyl-2-piperidin-1-ylpyrimidine
SMILESCc1nc(N2CCCCC2)ncc1Br
InChIInChI=1S/C10H14BrN3/c1-8-9(11)7-12-10(13-8)14-5-3-2-4-6-14/h7H,2-6H2,1H3
InChIKeyDOORWFNIHNTDCN-UHFFFAOYSA-N
XLogP2.54
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-2-piperidin-1-ylpyrimidine?
The IUPAC name of 5-bromo-4-methyl-2-piperidin-1-ylpyrimidine (CID 82373594) is 5-bromo-4-methyl-2-piperidin-1-ylpyrimidine.
What is the SMILES notation for 5-bromo-4-methyl-2-piperidin-1-ylpyrimidine?
The canonical SMILES for 5-bromo-4-methyl-2-piperidin-1-ylpyrimidine is Cc1nc(N2CCCCC2)ncc1Br.
What is the InChIKey of 5-bromo-4-methyl-2-piperidin-1-ylpyrimidine?
The InChIKey is DOORWFNIHNTDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3/c1-8-9(11)7-12-10(13-8)14-5-3-2-4-6-14/h7H,2-6H2,1H3.
What are the key properties of 5-bromo-4-methyl-2-piperidin-1-ylpyrimidine?
5-bromo-4-methyl-2-piperidin-1-ylpyrimidine has a molecular weight of 256.15 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-2-piperidin-1-ylpyrimidine is sourced from PubChem (CID 82373594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).