[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone

C18H23N5O — CID 109302276

IUPAC[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCc1ccccc1Nc1nccc(C(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C18H23N5O/c1-3-14-6-4-5-7-15(14)20-18-19-9-8-16(21-18)17(24)23-12-10-22(2)11-13-23/h4-9H,3,10-13H2,1-2H3,(H,19,20,21)
InChIKeyQPZZNLUFZHBGCL-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.17
Rot. Bonds4

About [2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone

[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109302276) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is [2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109302276
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCc1ccccc1Nc1nccc(C(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C18H23N5O/c1-3-14-6-4-5-7-15(14)20-18-19-9-8-16(21-18)17(24)23-12-10-22(2)11-13-23/h4-9H,3,10-13H2,1-2H3,(H,19,20,21)
InChIKeyQPZZNLUFZHBGCL-UHFFFAOYSA-N
XLogP2.17
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109309526
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299223
[2-(2-bromoanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302335
[2-(2-ethylanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 109253729
(4-ethylpiperazin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109302632
(4-methylpiperazin-1-yl)-[2-(2,3,4-trifluoroanilino)pyrimidin-4-yl]methanone
CID 109302365
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302210
[2-(4-chloro-2-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302294
[2-(4-bromoanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302300
4-[2-(2-propan-2-ylanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302903
2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109314288
[2-(2-ethyl-6-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297753

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 109302276) is [2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone is CCc1ccccc1Nc1nccc(C(=O)N2CCN(C)CC2)n1.
What is the InChIKey of [2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is QPZZNLUFZHBGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-3-14-6-4-5-7-15(14)20-18-19-9-8-16(21-18)17(24)23-12-10-22(2)11-13-23/h4-9H,3,10-13H2,1-2H3,(H,19,20,21).
What are the key properties of [2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 325.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109302276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).