1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone

C20H23N5O3 — CID 109326746

IUPAC1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc(C)cc(C(=O)N3CCN(C(C)=O)CC3)n2)cc1
InChIInChI=1S/C20H23N5O3/c1-13-12-18(19(28)25-10-8-24(9-11-25)15(3)27)23-20(21-13)22-17-6-4-16(5-7-17)14(2)26/h4-7,12H,8-11H2,1-3H3,(H,21,22,23)
InChIKeyHDYLKUKCONPPKU-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.04
Rot. Bonds4

About 1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone

1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone (PubChem CID 109326746) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
PubChem CID109326746
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc(C)cc(C(=O)N3CCN(C(C)=O)CC3)n2)cc1
InChIInChI=1S/C20H23N5O3/c1-13-12-18(19(28)25-10-8-24(9-11-25)15(3)27)23-20(21-13)22-17-6-4-16(5-7-17)14(2)26/h4-7,12H,8-11H2,1-3H3,(H,21,22,23)
InChIKeyHDYLKUKCONPPKU-UHFFFAOYSA-N
XLogP2.04
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone with MolForge

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Related Compounds

N-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 109326748
2-(4-acetylanilino)-6-methylpyrimidine-4-carboxylic acid
CID 71689152
methyl 4-[[4-(4-ethylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109326253
[2-(4-bromoanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325954
N-[4-[[4-(4-formylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 109326521
1-[4-[6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326719
[2-[4-(dimethylamino)anilino]-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321866
(2-anilino-6-methylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone
CID 109326196
azepan-1-yl-[2-(3,4-dichloroanilino)-6-methylpyrimidin-4-yl]methanone
CID 109334507
[2-(3,4-difluoroanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321909
[2-[4-(diethylamino)anilino]-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321867
2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334677

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone (CID 109326746) is 1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone is CC(=O)c1ccc(Nc2nc(C)cc(C(=O)N3CCN(C(C)=O)CC3)n2)cc1.
What is the InChIKey of 1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone?
The InChIKey is HDYLKUKCONPPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13-12-18(19(28)25-10-8-24(9-11-25)15(3)27)23-20(21-13)22-17-6-4-16(5-7-17)14(2)26/h4-7,12H,8-11H2,1-3H3,(H,21,22,23).
What are the key properties of 1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone?
1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone has a molecular weight of 381.44 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 109326746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).