[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone

C19H24ClN5O — CID 109254031

IUPAC[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2)CC1
InChIInChI=1S/C19H24ClN5O/c1-2-24-9-11-25(12-10-24)18(26)16-13-22-19(23-14-16)21-8-7-15-3-5-17(20)6-4-15/h3-6,13-14H,2,7-12H2,1H3,(H,21,22,23)
InChIKeyXRUFUFSCCXGVHY-UHFFFAOYSA-N
MW373.89 g/mol
LogP2.56
Rot. Bonds6

About [2-[2-(4-chlorophenyl)ethylamino]pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone

[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 109254031) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is [2-[2-(4-chlorophenyl)ethylamino]pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID109254031
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC Name[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2)CC1
InChIInChI=1S/C19H24ClN5O/c1-2-24-9-11-25(12-10-24)18(26)16-13-22-19(23-14-16)21-8-7-15-3-5-17(20)6-4-15/h3-6,13-14H,2,7-12H2,1H3,(H,21,22,23)
InChIKeyXRUFUFSCCXGVHY-UHFFFAOYSA-N
XLogP2.56
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(4-chlorophenyl)ethylamino]-4-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109168648
[2-(benzylamino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109253999
1-[4-[2-[2-(3-chlorophenyl)ethylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254653
(4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
CID 109254005
2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide
CID 109246522
2-[2-(4-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide
CID 109261431
[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186615
1-[4-[2-[2-(2-fluorophenyl)ethylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254624
[2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109254066
N-[4-[[5-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 109254112
[2-[2-(2-fluorophenyl)ethylamino]pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 109253672
N-[2-(4-chlorophenyl)ethyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787213

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorophenyl)ethylamino]pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [2-[2-(4-chlorophenyl)ethylamino]pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone (CID 109254031) is [2-[2-(4-chlorophenyl)ethylamino]pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[2-(4-chlorophenyl)ethylamino]pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[2-(4-chlorophenyl)ethylamino]pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2)CC1.
What is the InChIKey of [2-[2-(4-chlorophenyl)ethylamino]pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is XRUFUFSCCXGVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O/c1-2-24-9-11-25(12-10-24)18(26)16-13-22-19(23-14-16)21-8-7-15-3-5-17(20)6-4-15/h3-6,13-14H,2,7-12H2,1H3,(H,21,22,23).
What are the key properties of [2-[2-(4-chlorophenyl)ethylamino]pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone?
[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 373.89 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorophenyl)ethylamino]pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 109254031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).