1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone

C20H25N5O3 — CID 109326670

IUPAC1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1ccccc1CNc1nc(C)cc(C(=O)N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C20H25N5O3/c1-14-12-17(19(27)25-10-8-24(9-11-25)15(2)26)23-20(22-14)21-13-16-6-4-5-7-18(16)28-3/h4-7,12H,8-11,13H2,1-3H3,(H,21,22,23)
InChIKeyWJOQZNKWSARBPQ-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.71
Rot. Bonds5

About 1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109326670) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID109326670
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1ccccc1CNc1nc(C)cc(C(=O)N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C20H25N5O3/c1-14-12-17(19(27)25-10-8-24(9-11-25)15(2)26)23-20(22-14)21-13-16-6-4-5-7-18(16)28-3/h4-7,12H,8-11,13H2,1-3H3,(H,21,22,23)
InChIKeyWJOQZNKWSARBPQ-UHFFFAOYSA-N
XLogP1.71
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914826
[2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109323130
1-[4-[6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346001
N-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329140
1-[4-[6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326662
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302210
1-[4-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326676
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298426
1-[4-[2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326739
azepan-1-yl-[2-[(3,4-dimethoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]methanone
CID 109331752
[2-[(3,4-dimethoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322480
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300535

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone (CID 109326670) is 1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone is COc1ccccc1CNc1nc(C)cc(C(=O)N2CCN(C(C)=O)CC2)n1.
What is the InChIKey of 1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is WJOQZNKWSARBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-14-12-17(19(27)25-10-8-24(9-11-25)15(2)26)23-20(22-14)21-13-16-6-4-5-7-18(16)28-3/h4-7,12H,8-11,13H2,1-3H3,(H,21,22,23).
What are the key properties of 1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 383.45 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109326670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).