(2-bromophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone

C19H19BrN6O — CID 121073773

IUPAC(2-bromophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(N2CCN(C(=O)c3ccccc3Br)CC2)cc(-n2ccnc2)n1
InChIInChI=1S/C19H19BrN6O/c1-14-22-17(12-18(23-14)26-7-6-21-13-26)24-8-10-25(11-9-24)19(27)15-4-2-3-5-16(15)20/h2-7,12-13H,8-11H2,1H3
InChIKeyBBYRKPLBWHJWEF-UHFFFAOYSA-N
MW427.31 g/mol
LogP2.70
Rot. Bonds3

About (2-bromophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone

(2-bromophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 121073773) has the molecular formula C19H19BrN6O and a molecular weight of 427.31 g/mol. Its IUPAC name is (2-bromophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID121073773
Molecular FormulaC19H19BrN6O
Molecular Weight427.31 g/mol
Exact Mass426.08
IUPAC Name(2-bromophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(N2CCN(C(=O)c3ccccc3Br)CC2)cc(-n2ccnc2)n1
InChIInChI=1S/C19H19BrN6O/c1-14-22-17(12-18(23-14)26-7-6-21-13-26)24-8-10-25(11-9-24)19(27)15-4-2-3-5-16(15)20/h2-7,12-13H,8-11H2,1H3
InChIKeyBBYRKPLBWHJWEF-UHFFFAOYSA-N
XLogP2.70
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,5-dimethylphenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699268
(2,3-dimethoxyphenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699279
[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 122338546
(3-fluoro-4-pyridinyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122338611
(2-bromophenyl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 91631610
[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 122338503
(4-chlorophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699121
(3-fluorophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700227
[4-(dimethylamino)phenyl]-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122338510
[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 50944512
[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 122338506
6-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 122338462

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 121073773) is (2-bromophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1nc(N2CCN(C(=O)c3ccccc3Br)CC2)cc(-n2ccnc2)n1.
What is the InChIKey of (2-bromophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is BBYRKPLBWHJWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN6O/c1-14-22-17(12-18(23-14)26-7-6-21-13-26)24-8-10-25(11-9-24)19(27)15-4-2-3-5-16(15)20/h2-7,12-13H,8-11H2,1H3.
What are the key properties of (2-bromophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
(2-bromophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 427.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 121073773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).