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

C20H24N6O3 — CID 109326748

IUPACN-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(C)cc(C(=O)N3CCN(C(C)=O)CC3)n2)cc1
InChIInChI=1S/C20H24N6O3/c1-13-12-18(19(29)26-10-8-25(9-11-26)15(3)28)24-20(21-13)23-17-6-4-16(5-7-17)22-14(2)27/h4-7,12H,8-11H2,1-3H3,(H,22,27)(H,21,23,24)
InChIKeyWFRLDZLIPIIWKW-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.79
Rot. Bonds4

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

N-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 109326748) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID109326748
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC NameN-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(C)cc(C(=O)N3CCN(C(C)=O)CC3)n2)cc1
InChIInChI=1S/C20H24N6O3/c1-13-12-18(19(29)26-10-8-25(9-11-26)15(3)28)24-20(21-13)23-17-6-4-16(5-7-17)22-14(2)27/h4-7,12H,8-11H2,1-3H3,(H,22,27)(H,21,23,24)
InChIKeyWFRLDZLIPIIWKW-UHFFFAOYSA-N
XLogP1.79
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[4-(4-formylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 109326521
1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 109326746
[2-(4-bromoanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325954
1-[4-[6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326719
azepan-1-yl-[2-(3,4-dichloroanilino)-6-methylpyrimidin-4-yl]methanone
CID 109334507
[2-[4-(dimethylamino)anilino]-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321866
[2-[4-(diethylamino)anilino]-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321867
methyl 2-(4-acetamidoanilino)-6-methylpyrimidine-4-carboxylate
CID 71689112
(2-anilino-6-methylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone
CID 109326196
methyl 4-[[4-(4-ethylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109326253
[2-(3,4-difluoroanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321909
[2-(4-bromo-3-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321881

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide (CID 109326748) is N-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc(C)cc(C(=O)N3CCN(C(C)=O)CC3)n2)cc1.
What is the InChIKey of N-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is WFRLDZLIPIIWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-13-12-18(19(29)26-10-8-25(9-11-26)15(3)28)24-20(21-13)23-17-6-4-16(5-7-17)22-14(2)27/h4-7,12H,8-11H2,1-3H3,(H,22,27)(H,21,23,24).
What are the key properties of N-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide?
N-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 396.45 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 109326748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).