[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone

C18H21BrN4O — CID 46464002

IUPAC[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCN(c3ncc(Br)cn3)CC2)cc1
InChIInChI=1S/C18H21BrN4O/c1-13(2)14-3-5-15(6-4-14)17(24)22-7-9-23(10-8-22)18-20-11-16(19)12-21-18/h3-6,11-13H,7-10H2,1-2H3
InChIKeyIAINDTIAMWOCSJ-UHFFFAOYSA-N
MW389.30 g/mol
LogP3.32
Rot. Bonds3

About [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone

[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 46464002) has the molecular formula C18H21BrN4O and a molecular weight of 389.30 g/mol. Its IUPAC name is [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID46464002
Molecular FormulaC18H21BrN4O
Molecular Weight389.30 g/mol
Exact Mass388.09
IUPAC Name[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCN(c3ncc(Br)cn3)CC2)cc1
InChIInChI=1S/C18H21BrN4O/c1-13(2)14-3-5-15(6-4-14)17(24)22-7-9-23(10-8-22)18-20-11-16(19)12-21-18/h3-6,11-13H,7-10H2,1-2H3
InChIKeyIAINDTIAMWOCSJ-UHFFFAOYSA-N
XLogP3.32
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 39991441
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 46455043
(4-butan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110761276
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3-iodophenyl)methanone
CID 46463806
(4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 36724322
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854
[4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 126812437
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one
CID 46454398
[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 138022493
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 55574956
4-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2051023

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone (CID 46464002) is [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)N2CCN(c3ncc(Br)cn3)CC2)cc1.
What is the InChIKey of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is IAINDTIAMWOCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O/c1-13(2)14-3-5-15(6-4-14)17(24)22-7-9-23(10-8-22)18-20-11-16(19)12-21-18/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 389.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 46464002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).