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

C18H22ClN5O — CID 112858437

IUPAC1-[4-[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(NCCc3cccc(Cl)c3)ncn2)CC1
InChIInChI=1S/C18H22ClN5O/c1-14(25)23-7-9-24(10-8-23)18-12-17(21-13-22-18)20-6-5-15-3-2-4-16(19)11-15/h2-4,11-13H,5-10H2,1H3,(H,20,21,22)
InChIKeyVSYVDKWVHJZFSM-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.45
Rot. Bonds5

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

1-[4-[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 112858437) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is 1-[4-[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID112858437
Molecular FormulaC18H22ClN5O
Molecular Weight359.86 g/mol
Exact Mass359.15
IUPAC Name1-[4-[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(NCCc3cccc(Cl)c3)ncn2)CC1
InChIInChI=1S/C18H22ClN5O/c1-14(25)23-7-9-24(10-8-23)18-12-17(21-13-22-18)20-6-5-15-3-2-4-16(19)11-15/h2-4,11-13H,5-10H2,1H3,(H,20,21,22)
InChIKeyVSYVDKWVHJZFSM-UHFFFAOYSA-N
XLogP2.45
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858398
1-[4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169047
3-(3-chlorophenyl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 122327995
1-[4-[4-[2-(3-chlorophenyl)ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915022
1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112855082
[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341697
1-[4-[2-[2-(3-chlorophenyl)ethylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254653
1-[4-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858393
1-[4-[6-(3-methoxypropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112856840
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 112856701
[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109355144
3-(4-acetylpiperazin-1-yl)-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide
CID 108961228

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 112858437) is 1-[4-[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(NCCc3cccc(Cl)c3)ncn2)CC1.
What is the InChIKey of 1-[4-[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is VSYVDKWVHJZFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O/c1-14(25)23-7-9-24(10-8-23)18-12-17(21-13-22-18)20-6-5-15-3-2-4-16(19)11-15/h2-4,11-13H,5-10H2,1H3,(H,20,21,22).
What are the key properties of 1-[4-[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 359.86 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 112858437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).