2-ethoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide

C18H23N5O2 — CID 90543723

IUPAC2-ethoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(N2CCN(C)CC2)ncn1
InChIInChI=1S/C18H23N5O2/c1-3-25-15-7-5-4-6-14(15)18(24)21-16-12-17(20-13-19-16)23-10-8-22(2)9-11-23/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,20,21,24)
InChIKeyVFZQVQTXLBKWIV-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.88
Rot. Bonds5

About 2-ethoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide

2-ethoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide (PubChem CID 90543723) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-ethoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
PubChem CID90543723
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-ethoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(N2CCN(C)CC2)ncn1
InChIInChI=1S/C18H23N5O2/c1-3-25-15-7-5-4-6-14(15)18(24)21-16-12-17(20-13-19-16)23-10-8-22(2)9-11-23/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,20,21,24)
InChIKeyVFZQVQTXLBKWIV-UHFFFAOYSA-N
XLogP1.88
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543765
2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543726
2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90543826
2,4-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543966
1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylurea
CID 90544020
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide
CID 90543989
2,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]furan-3-carboxamide
CID 90543838
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylpropanamide
CID 90543791
2-ethylsulfanyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 90544989
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylsulfanylpropanamide
CID 90543746
N-(4-chloro-2-pyridinyl)-2-ethoxybenzamide
CID 113236114
2-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545166

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide (CID 90543723) is 2-ethoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide is CCOc1ccccc1C(=O)Nc1cc(N2CCN(C)CC2)ncn1.
What is the InChIKey of 2-ethoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
The InChIKey is VFZQVQTXLBKWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-3-25-15-7-5-4-6-14(15)18(24)21-16-12-17(20-13-19-16)23-10-8-22(2)9-11-23/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,20,21,24).
What are the key properties of 2-ethoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
2-ethoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide has a molecular weight of 341.42 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 90543723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).