3-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine

C18H27BrN4O — CID 23933374

IUPAC3-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine
SMILESCCC1COC(C)(CCC(C)C)N1Cc1nc2ncccn2c1Br
InChIInChI=1S/C18H27BrN4O/c1-5-14-12-24-18(4,8-7-13(2)3)23(14)11-15-16(19)22-10-6-9-20-17(22)21-15/h6,9-10,13-14H,5,7-8,11-12H2,1-4H3
InChIKeyXNARJEMABLWTDI-UHFFFAOYSA-N
MW395.35 g/mol
LogP4.26
Rot. Bonds6

About 3-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine

3-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine (PubChem CID 23933374) has the molecular formula C18H27BrN4O and a molecular weight of 395.35 g/mol. Its IUPAC name is 3-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine.

Molecular Properties

Compound Name3-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine
PubChem CID23933374
Molecular FormulaC18H27BrN4O
Molecular Weight395.35 g/mol
Exact Mass394.14
IUPAC Name3-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine
SMILESCCC1COC(C)(CCC(C)C)N1Cc1nc2ncccn2c1Br
InChIInChI=1S/C18H27BrN4O/c1-5-14-12-24-18(4,8-7-13(2)3)23(14)11-15-16(19)22-10-6-9-20-17(22)21-15/h6,9-10,13-14H,5,7-8,11-12H2,1-4H3
InChIKeyXNARJEMABLWTDI-UHFFFAOYSA-N
XLogP4.26
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine?
The IUPAC name of 3-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine (CID 23933374) is 3-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine.
What is the SMILES notation for 3-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine?
The canonical SMILES for 3-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine is CCC1COC(C)(CCC(C)C)N1Cc1nc2ncccn2c1Br.
What is the InChIKey of 3-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine?
The InChIKey is XNARJEMABLWTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN4O/c1-5-14-12-24-18(4,8-7-13(2)3)23(14)11-15-16(19)22-10-6-9-20-17(22)21-15/h6,9-10,13-14H,5,7-8,11-12H2,1-4H3.
What are the key properties of 3-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine?
3-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine has a molecular weight of 395.35 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine is sourced from PubChem (CID 23933374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).