5-bromo-2-[1-[(2-methyltriazol-4-yl)methyl]piperidin-2-yl]pyrimidine

C13H17BrN6 — CID 146139633

IUPAC5-bromo-2-[1-[(2-methyltriazol-4-yl)methyl]piperidin-2-yl]pyrimidine
SMILESCn1ncc(CN2CCCCC2c2ncc(Br)cn2)n1
InChIInChI=1S/C13H17BrN6/c1-19-17-8-11(18-19)9-20-5-3-2-4-12(20)13-15-6-10(14)7-16-13/h6-8,12H,2-5,9H2,1H3
InChIKeyDRZDWYYRBXSGNN-UHFFFAOYSA-N
MW337.23 g/mol
LogP2.09
Rot. Bonds3

About 5-bromo-2-[1-[(2-methyltriazol-4-yl)methyl]piperidin-2-yl]pyrimidine

5-bromo-2-[1-[(2-methyltriazol-4-yl)methyl]piperidin-2-yl]pyrimidine (PubChem CID 146139633) has the molecular formula C13H17BrN6 and a molecular weight of 337.23 g/mol. Its IUPAC name is 5-bromo-2-[1-[(2-methyltriazol-4-yl)methyl]piperidin-2-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-[1-[(2-methyltriazol-4-yl)methyl]piperidin-2-yl]pyrimidine
PubChem CID146139633
Molecular FormulaC13H17BrN6
Molecular Weight337.23 g/mol
Exact Mass336.07
IUPAC Name5-bromo-2-[1-[(2-methyltriazol-4-yl)methyl]piperidin-2-yl]pyrimidine
SMILESCn1ncc(CN2CCCCC2c2ncc(Br)cn2)n1
InChIInChI=1S/C13H17BrN6/c1-19-17-8-11(18-19)9-20-5-3-2-4-12(20)13-15-6-10(14)7-16-13/h6-8,12H,2-5,9H2,1H3
InChIKeyDRZDWYYRBXSGNN-UHFFFAOYSA-N
XLogP2.09
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[1-[(2-methyltriazol-4-yl)methyl]piperidin-2-yl]pyrimidine?
The IUPAC name of 5-bromo-2-[1-[(2-methyltriazol-4-yl)methyl]piperidin-2-yl]pyrimidine (CID 146139633) is 5-bromo-2-[1-[(2-methyltriazol-4-yl)methyl]piperidin-2-yl]pyrimidine.
What is the SMILES notation for 5-bromo-2-[1-[(2-methyltriazol-4-yl)methyl]piperidin-2-yl]pyrimidine?
The canonical SMILES for 5-bromo-2-[1-[(2-methyltriazol-4-yl)methyl]piperidin-2-yl]pyrimidine is Cn1ncc(CN2CCCCC2c2ncc(Br)cn2)n1.
What is the InChIKey of 5-bromo-2-[1-[(2-methyltriazol-4-yl)methyl]piperidin-2-yl]pyrimidine?
The InChIKey is DRZDWYYRBXSGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN6/c1-19-17-8-11(18-19)9-20-5-3-2-4-12(20)13-15-6-10(14)7-16-13/h6-8,12H,2-5,9H2,1H3.
What are the key properties of 5-bromo-2-[1-[(2-methyltriazol-4-yl)methyl]piperidin-2-yl]pyrimidine?
5-bromo-2-[1-[(2-methyltriazol-4-yl)methyl]piperidin-2-yl]pyrimidine has a molecular weight of 337.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[1-[(2-methyltriazol-4-yl)methyl]piperidin-2-yl]pyrimidine is sourced from PubChem (CID 146139633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).