(4-ethylpiperazin-1-yl)-[2-(2-methoxyethylamino)pyrimidin-4-yl]methanone

C14H23N5O2 — CID 109299609

IUPAC(4-ethylpiperazin-1-yl)-[2-(2-methoxyethylamino)pyrimidin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2ccnc(NCCOC)n2)CC1
InChIInChI=1S/C14H23N5O2/c1-3-18-7-9-19(10-8-18)13(20)12-4-5-15-14(17-12)16-6-11-21-2/h4-5H,3,6-11H2,1-2H3,(H,15,16,17)
InChIKeyYOLSOYNRGIRXRM-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.31
Rot. Bonds6

About (4-ethylpiperazin-1-yl)-[2-(2-methoxyethylamino)pyrimidin-4-yl]methanone

(4-ethylpiperazin-1-yl)-[2-(2-methoxyethylamino)pyrimidin-4-yl]methanone (PubChem CID 109299609) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[2-(2-methoxyethylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[2-(2-methoxyethylamino)pyrimidin-4-yl]methanone
PubChem CID109299609
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name(4-ethylpiperazin-1-yl)-[2-(2-methoxyethylamino)pyrimidin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2ccnc(NCCOC)n2)CC1
InChIInChI=1S/C14H23N5O2/c1-3-18-7-9-19(10-8-18)13(20)12-4-5-15-14(17-12)16-6-11-21-2/h4-5H,3,6-11H2,1-2H3,(H,15,16,17)
InChIKeyYOLSOYNRGIRXRM-UHFFFAOYSA-N
XLogP0.31
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methoxyethylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109299603
[2-(cyclopropylamino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109295535
(4-ethylpiperazin-1-yl)-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109302541
[2-(butan-2-ylamino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109297095
(4-ethylpiperazin-1-yl)-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109302527
(4-ethylpiperazin-1-yl)-[2-(4-methylanilino)pyrimidin-4-yl]methanone
CID 109302586
piperidin-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
CID 109294729
azepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
CID 109294810
(4-ethylpiperazin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]methanone
CID 109302555
[2-(4-bromoanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302620
[2-(2,5-dimethylanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302591
[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302550

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[2-(2-methoxyethylamino)pyrimidin-4-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[2-(2-methoxyethylamino)pyrimidin-4-yl]methanone (CID 109299609) is (4-ethylpiperazin-1-yl)-[2-(2-methoxyethylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[2-(2-methoxyethylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[2-(2-methoxyethylamino)pyrimidin-4-yl]methanone is CCN1CCN(C(=O)c2ccnc(NCCOC)n2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[2-(2-methoxyethylamino)pyrimidin-4-yl]methanone?
The InChIKey is YOLSOYNRGIRXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-3-18-7-9-19(10-8-18)13(20)12-4-5-15-14(17-12)16-6-11-21-2/h4-5H,3,6-11H2,1-2H3,(H,15,16,17).
What are the key properties of (4-ethylpiperazin-1-yl)-[2-(2-methoxyethylamino)pyrimidin-4-yl]methanone?
(4-ethylpiperazin-1-yl)-[2-(2-methoxyethylamino)pyrimidin-4-yl]methanone has a molecular weight of 293.37 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[2-(2-methoxyethylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109299609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).