1-[4-[2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone

C20H25N5O3 — CID 109326739

IUPAC1-[4-[2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(C)cc1Nc1nc(C)cc(C(=O)N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C20H25N5O3/c1-13-5-6-18(28-4)16(11-13)22-20-21-14(2)12-17(23-20)19(27)25-9-7-24(8-10-25)15(3)26/h5-6,11-12H,7-10H2,1-4H3,(H,21,22,23)
InChIKeyOTQNJFDFNPGVRC-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.15
Rot. Bonds4

About 1-[4-[2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109326739) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-[4-[2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID109326739
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name1-[4-[2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(C)cc1Nc1nc(C)cc(C(=O)N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C20H25N5O3/c1-13-5-6-18(28-4)16(11-13)22-20-21-14(2)12-17(23-20)19(27)25-9-7-24(8-10-25)15(3)26/h5-6,11-12H,7-10H2,1-4H3,(H,21,22,23)
InChIKeyOTQNJFDFNPGVRC-UHFFFAOYSA-N
XLogP2.15
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[2-(2-methoxy-5-methylanilino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914917
1-[4-[6-(2-methoxy-5-methylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346083
azepan-1-yl-[2-(2,5-dimethylanilino)-6-methylpyrimidin-4-yl]methanone
CID 109334442
N-(2,5-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335777
4-[2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109326475
1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326670
1-[4-[6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326719
[2-(3,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321853
N-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 109326748
1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 109326746
[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364363
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336145

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone (CID 109326739) is 1-[4-[2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone is COc1ccc(C)cc1Nc1nc(C)cc(C(=O)N2CCN(C(C)=O)CC2)n1.
What is the InChIKey of 1-[4-[2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is OTQNJFDFNPGVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-13-5-6-18(28-4)16(11-13)22-20-21-14(2)12-17(23-20)19(27)25-9-7-24(8-10-25)15(3)26/h5-6,11-12H,7-10H2,1-4H3,(H,21,22,23).
What are the key properties of 1-[4-[2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 383.45 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109326739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).