1-[4-[4-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone

C19H25N5O — CID 72903020

IUPAC1-[4-[4-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone
SMILESCCc1nc(N)nc(N2CCN(c3ccc(C(C)=O)cc3)CC2)c1C
InChIInChI=1S/C19H25N5O/c1-4-17-13(2)18(22-19(20)21-17)24-11-9-23(10-12-24)16-7-5-15(6-8-16)14(3)25/h5-8H,4,9-12H2,1-3H3,(H2,20,21,22)
InChIKeyBODJPJYPCONQIG-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.46
Rot. Bonds4

About 1-[4-[4-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone

1-[4-[4-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone (PubChem CID 72903020) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[4-[4-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone
PubChem CID72903020
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-[4-[4-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone
SMILESCCc1nc(N)nc(N2CCN(c3ccc(C(C)=O)cc3)CC2)c1C
InChIInChI=1S/C19H25N5O/c1-4-17-13(2)18(22-19(20)21-17)24-11-9-23(10-12-24)16-7-5-15(6-8-16)14(3)25/h5-8H,4,9-12H2,1-3H3,(H2,20,21,22)
InChIKeyBODJPJYPCONQIG-UHFFFAOYSA-N
XLogP2.46
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone with MolForge

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Related Compounds

5-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 72856835
1-[4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanone
CID 63158711
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-aminobutan-1-one
CID 61252307
1-[4-(4,4-diethylpiperidin-1-yl)phenyl]ethanone
CID 63158758
1-[4-[4-(3-methylbut-2-enyl)piperazin-1-yl]phenyl]ethanone
CID 39975587
1-[4-[4-(6-amino-5-nitropyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone
CID 2960342
(2S)-2-[[4-[4-(2,4-diamino-6-ethylpyrimidin-5-yl)piperazin-1-yl]benzoyl]amino]pentanedioic acid
CID 13478339
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-bromoethanone
CID 63681378
4-[2-[4-(4-acetylphenyl)piperazin-1-yl]propanoyloxy]butyl 2-[4-(4-acetylphenyl)piperazin-1-yl]propanoate
CID 58835425
1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone
CID 783727
1-[4-[4-(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 87048490

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone (CID 72903020) is 1-[4-[4-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone is CCc1nc(N)nc(N2CCN(c3ccc(C(C)=O)cc3)CC2)c1C.
What is the InChIKey of 1-[4-[4-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is BODJPJYPCONQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-4-17-13(2)18(22-19(20)21-17)24-11-9-23(10-12-24)16-7-5-15(6-8-16)14(3)25/h5-8H,4,9-12H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[4-[4-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone?
1-[4-[4-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 339.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 72903020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).