(2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C17H20N4O — CID 2110630

IUPAC(2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C17H20N4O/c1-13-4-5-14(2)15(12-13)16(22)20-8-10-21(11-9-20)17-18-6-3-7-19-17/h3-7,12H,8-11H2,1-2H3
InChIKeyJDCIBSLLSHGBMC-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.06
Rot. Bonds2

About (2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 2110630) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID2110630
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name(2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C17H20N4O/c1-13-4-5-14(2)15(12-13)16(22)20-8-10-21(11-9-20)17-18-6-3-7-19-17/h3-7,12H,8-11H2,1-2H3
InChIKeyJDCIBSLLSHGBMC-UHFFFAOYSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896524
(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4993620
(2-hydroxy-3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 43824625
(5-methyl-1H-indazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 78858969
(2,5-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121053805
(4-ethoxy-2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110761665
[4-(2,5-dimethylbenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808553
6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid
CID 66849794
(5-chloro-4-methoxy-2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110762112
N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 60551137
(6-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1261235

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 2110630) is (2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1ccc(C)c(C(=O)N2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is JDCIBSLLSHGBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-13-4-5-14(2)15(12-13)16(22)20-8-10-21(11-9-20)17-18-6-3-7-19-17/h3-7,12H,8-11H2,1-2H3.
What are the key properties of (2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 296.37 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 2110630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).