1-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperazin-1-yl]-2-phenoxyethanone

C19H25N5O2 — CID 50980260

IUPAC1-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperazin-1-yl]-2-phenoxyethanone
SMILESCc1cnc(N2CCN(C(=O)COc3ccccc3)CC2)nc1N(C)C
InChIInChI=1S/C19H25N5O2/c1-15-13-20-19(21-18(15)22(2)3)24-11-9-23(10-12-24)17(25)14-26-16-7-5-4-6-8-16/h4-8,13H,9-12,14H2,1-3H3
InChIKeyLPBZXEHOHCRFLR-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.58
Rot. Bonds5

About 1-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperazin-1-yl]-2-phenoxyethanone

1-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperazin-1-yl]-2-phenoxyethanone (PubChem CID 50980260) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperazin-1-yl]-2-phenoxyethanone
PubChem CID50980260
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperazin-1-yl]-2-phenoxyethanone
SMILESCc1cnc(N2CCN(C(=O)COc3ccccc3)CC2)nc1N(C)C
InChIInChI=1S/C19H25N5O2/c1-15-13-20-19(21-18(15)22(2)3)24-11-9-23(10-12-24)17(25)14-26-16-7-5-4-6-8-16/h4-8,13H,9-12,14H2,1-3H3
InChIKeyLPBZXEHOHCRFLR-UHFFFAOYSA-N
XLogP1.58
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperazin-1-yl]-2-phenoxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperazin-1-yl]-3-methylbutan-1-one
CID 50973767
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
CID 91968699
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-phenoxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone
CID 47072316
1-[4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-2-phenoxyethanone
CID 118165179
1-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone
CID 42855724
1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 113075907
ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 807888
1-[2-(4-cyclohexylpiperazin-1-yl)-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone
CID 42682864
6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971618
2-(4-methoxyphenoxy)-1-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122344107
1-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-2-phenoxyethanone
CID 18566510

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperazin-1-yl]-2-phenoxyethanone (CID 50980260) is 1-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperazin-1-yl]-2-phenoxyethanone is Cc1cnc(N2CCN(C(=O)COc3ccccc3)CC2)nc1N(C)C.
What is the InChIKey of 1-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperazin-1-yl]-2-phenoxyethanone?
The InChIKey is LPBZXEHOHCRFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-15-13-20-19(21-18(15)22(2)3)24-11-9-23(10-12-24)17(25)14-26-16-7-5-4-6-8-16/h4-8,13H,9-12,14H2,1-3H3.
What are the key properties of 1-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperazin-1-yl]-2-phenoxyethanone?
1-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperazin-1-yl]-2-phenoxyethanone has a molecular weight of 355.44 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 50980260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).