(2-bromophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C15H15BrN4O — CID 2059832

IUPAC(2-bromophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1Br)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H15BrN4O/c16-13-5-2-1-4-12(13)14(21)19-8-10-20(11-9-19)15-17-6-3-7-18-15/h1-7H,8-11H2
InChIKeyBTIOHRYPCDKLCV-UHFFFAOYSA-N
MW347.22 g/mol
LogP2.20
Rot. Bonds2

About (2-bromophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(2-bromophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 2059832) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is (2-bromophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID2059832
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC Name(2-bromophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1Br)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H15BrN4O/c16-13-5-2-1-4-12(13)14(21)19-8-10-20(11-9-19)15-17-6-3-7-18-15/h1-7H,8-11H2
InChIKeyBTIOHRYPCDKLCV-UHFFFAOYSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-bromophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 2059832) is (2-bromophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1ccccc1Br)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (2-bromophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is BTIOHRYPCDKLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c16-13-5-2-1-4-12(13)14(21)19-8-10-20(11-9-19)15-17-6-3-7-18-15/h1-7H,8-11H2.
What are the key properties of (2-bromophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(2-bromophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 347.22 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 2059832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).