(4-bromophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C19H18BrN5O — CID 122342182

IUPAC(4-bromophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCN(c2cc(-n3cccc3)ncn2)CC1
InChIInChI=1S/C19H18BrN5O/c20-16-5-3-15(4-6-16)19(26)25-11-9-24(10-12-25)18-13-17(21-14-22-18)23-7-1-2-8-23/h1-8,13-14H,9-12H2
InChIKeyFZUNINWNQBGNNZ-UHFFFAOYSA-N
MW412.29 g/mol
LogP2.99
Rot. Bonds3

About (4-bromophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

(4-bromophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 122342182) has the molecular formula C19H18BrN5O and a molecular weight of 412.29 g/mol. Its IUPAC name is (4-bromophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID122342182
Molecular FormulaC19H18BrN5O
Molecular Weight412.29 g/mol
Exact Mass411.07
IUPAC Name(4-bromophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCN(c2cc(-n3cccc3)ncn2)CC1
InChIInChI=1S/C19H18BrN5O/c20-16-5-3-15(4-6-16)19(26)25-11-9-24(10-12-25)18-13-17(21-14-22-18)23-7-1-2-8-23/h1-8,13-14H,9-12H2
InChIKeyFZUNINWNQBGNNZ-UHFFFAOYSA-N
XLogP2.99
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromophenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699707
(4-bromophenyl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
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(3-iodophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
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(4-bromophenyl)-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
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(2-iodophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342183
[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 122341994
[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 122341955
1-[4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone
CID 122338349
cyclopropyl-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 71800031
(3-fluoro-4-pyridinyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342101
(4-chlorophenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700276
(4-methoxyphenyl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 122342182) is (4-bromophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is O=C(c1ccc(Br)cc1)N1CCN(c2cc(-n3cccc3)ncn2)CC1.
What is the InChIKey of (4-bromophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is FZUNINWNQBGNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN5O/c20-16-5-3-15(4-6-16)19(26)25-11-9-24(10-12-25)18-13-17(21-14-22-18)23-7-1-2-8-23/h1-8,13-14H,9-12H2.
What are the key properties of (4-bromophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(4-bromophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 412.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122342182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).