(8-bromoimidazo[1,5-a]pyrimidin-6-yl)-(2-methylphenyl)methanone

C14H10BrN3O — CID 122549129

IUPAC(8-bromoimidazo[1,5-a]pyrimidin-6-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1nc(Br)c2ncccn12
InChIInChI=1S/C14H10BrN3O/c1-9-5-2-3-6-10(9)11(19)13-17-12(15)14-16-7-4-8-18(13)14/h2-8H,1H3
InChIKeyFYNFPNPUIVQLBR-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.03
Rot. Bonds2

About (8-bromoimidazo[1,5-a]pyrimidin-6-yl)-(2-methylphenyl)methanone

(8-bromoimidazo[1,5-a]pyrimidin-6-yl)-(2-methylphenyl)methanone (PubChem CID 122549129) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is (8-bromoimidazo[1,5-a]pyrimidin-6-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(8-bromoimidazo[1,5-a]pyrimidin-6-yl)-(2-methylphenyl)methanone
PubChem CID122549129
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name(8-bromoimidazo[1,5-a]pyrimidin-6-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1nc(Br)c2ncccn12
InChIInChI=1S/C14H10BrN3O/c1-9-5-2-3-6-10(9)11(19)13-17-12(15)14-16-7-4-8-18(13)14/h2-8H,1H3
InChIKeyFYNFPNPUIVQLBR-UHFFFAOYSA-N
XLogP3.03
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-bromoimidazo[1,5-a]pyrimidin-6-yl)-(2-methylphenyl)methanone?
The IUPAC name of (8-bromoimidazo[1,5-a]pyrimidin-6-yl)-(2-methylphenyl)methanone (CID 122549129) is (8-bromoimidazo[1,5-a]pyrimidin-6-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (8-bromoimidazo[1,5-a]pyrimidin-6-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (8-bromoimidazo[1,5-a]pyrimidin-6-yl)-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1nc(Br)c2ncccn12.
What is the InChIKey of (8-bromoimidazo[1,5-a]pyrimidin-6-yl)-(2-methylphenyl)methanone?
The InChIKey is FYNFPNPUIVQLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c1-9-5-2-3-6-10(9)11(19)13-17-12(15)14-16-7-4-8-18(13)14/h2-8H,1H3.
What are the key properties of (8-bromoimidazo[1,5-a]pyrimidin-6-yl)-(2-methylphenyl)methanone?
(8-bromoimidazo[1,5-a]pyrimidin-6-yl)-(2-methylphenyl)methanone has a molecular weight of 316.16 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromoimidazo[1,5-a]pyrimidin-6-yl)-(2-methylphenyl)methanone is sourced from PubChem (CID 122549129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).