3-bromo-5,7-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine

C15H21BrN4 — CID 4590184

IUPAC3-bromo-5,7-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2c(Br)c(CN3CCCC(C)C3)nc2n1
InChIInChI=1S/C15H21BrN4/c1-10-5-4-6-19(8-10)9-13-14(16)20-12(3)7-11(2)17-15(20)18-13/h7,10H,4-6,8-9H2,1-3H3
InChIKeyMOZWZLYQSAMUPQ-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.34
Rot. Bonds2

About 3-bromo-5,7-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine

3-bromo-5,7-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine (PubChem CID 4590184) has the molecular formula C15H21BrN4 and a molecular weight of 337.27 g/mol. Its IUPAC name is 3-bromo-5,7-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-5,7-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine
PubChem CID4590184
Molecular FormulaC15H21BrN4
Molecular Weight337.27 g/mol
Exact Mass336.09
IUPAC Name3-bromo-5,7-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2c(Br)c(CN3CCCC(C)C3)nc2n1
InChIInChI=1S/C15H21BrN4/c1-10-5-4-6-19(8-10)9-13-14(16)20-12(3)7-11(2)17-15(20)18-13/h7,10H,4-6,8-9H2,1-3H3
InChIKeyMOZWZLYQSAMUPQ-UHFFFAOYSA-N
XLogP3.34
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5,7-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-bromo-5,7-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine (CID 4590184) is 3-bromo-5,7-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-bromo-5,7-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-bromo-5,7-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine is Cc1cc(C)n2c(Br)c(CN3CCCC(C)C3)nc2n1.
What is the InChIKey of 3-bromo-5,7-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is MOZWZLYQSAMUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4/c1-10-5-4-6-19(8-10)9-13-14(16)20-12(3)7-11(2)17-15(20)18-13/h7,10H,4-6,8-9H2,1-3H3.
What are the key properties of 3-bromo-5,7-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine?
3-bromo-5,7-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 337.27 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5,7-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 4590184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).