1-[4-[4-[2-(3-chlorophenyl)ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone

C19H24ClN5O — CID 112915022

IUPAC1-[4-[4-[2-(3-chlorophenyl)ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(C)cc(NCCc3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C19H24ClN5O/c1-14-12-18(21-7-6-16-4-3-5-17(20)13-16)23-19(22-14)25-10-8-24(9-11-25)15(2)26/h3-5,12-13H,6-11H2,1-2H3,(H,21,22,23)
InChIKeyCZDMOJHIGUDKLD-UHFFFAOYSA-N
MW373.89 g/mol
LogP2.76
Rot. Bonds5

About 1-[4-[4-[2-(3-chlorophenyl)ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone

1-[4-[4-[2-(3-chlorophenyl)ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone (PubChem CID 112915022) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is 1-[4-[4-[2-(3-chlorophenyl)ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[2-(3-chlorophenyl)ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
PubChem CID112915022
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC Name1-[4-[4-[2-(3-chlorophenyl)ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(C)cc(NCCc3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C19H24ClN5O/c1-14-12-18(21-7-6-16-4-3-5-17(20)13-16)23-19(22-14)25-10-8-24(9-11-25)15(2)26/h3-5,12-13H,6-11H2,1-2H3,(H,21,22,23)
InChIKeyCZDMOJHIGUDKLD-UHFFFAOYSA-N
XLogP2.76
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-methyl-6-(2-phenylethylamino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112914983
1-[4-[4-[(4-chlorophenyl)methylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112914975
1-[4-[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858437
1-[4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169047
N-[2-(3-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine
CID 112926469
1-[4-[4-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112911054
N-[2-(3-chlorophenyl)ethyl]-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321614
1-[4-[2-[2-(3-chlorophenyl)ethylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254653
6-methyl-N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112920054
N-[2-(3-chlorophenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322327
2-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109334319
N-[2-(3-chlorophenyl)ethyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326060

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[2-(3-chlorophenyl)ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[2-(3-chlorophenyl)ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone (CID 112915022) is 1-[4-[4-[2-(3-chlorophenyl)ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[2-(3-chlorophenyl)ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[2-(3-chlorophenyl)ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(C)cc(NCCc3cccc(Cl)c3)n2)CC1.
What is the InChIKey of 1-[4-[4-[2-(3-chlorophenyl)ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is CZDMOJHIGUDKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O/c1-14-12-18(21-7-6-16-4-3-5-17(20)13-16)23-19(22-14)25-10-8-24(9-11-25)15(2)26/h3-5,12-13H,6-11H2,1-2H3,(H,21,22,23).
What are the key properties of 1-[4-[4-[2-(3-chlorophenyl)ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone?
1-[4-[4-[2-(3-chlorophenyl)ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 373.89 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[2-(3-chlorophenyl)ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 112915022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).