2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide

C18H23N5O3 — CID 90543826

IUPAC2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1cc(N2CCN(C)CC2)ncn1
InChIInChI=1S/C18H23N5O3/c1-22-7-9-23(10-8-22)17-11-16(19-13-20-17)21-18(24)12-26-15-6-4-3-5-14(15)25-2/h3-6,11,13H,7-10,12H2,1-2H3,(H,19,20,21,24)
InChIKeyURXAZQDOHYWCDZ-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.25
Rot. Bonds6

About 2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide

2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide (PubChem CID 90543826) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
PubChem CID90543826
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1cc(N2CCN(C)CC2)ncn1
InChIInChI=1S/C18H23N5O3/c1-22-7-9-23(10-8-22)17-11-16(19-13-20-17)21-18(24)12-26-15-6-4-3-5-14(15)25-2/h3-6,11,13H,7-10,12H2,1-2H3,(H,19,20,21,24)
InChIKeyURXAZQDOHYWCDZ-UHFFFAOYSA-N
XLogP1.25
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543765
2-(2-methoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992910
2-ethoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543723
1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylurea
CID 90544020
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylpropanamide
CID 90543791
2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544545
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-phenoxypropanamide
CID 90543811
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylsulfanylpropanamide
CID 90543746
2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
CID 90544868
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 113042446
2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543726
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide
CID 90543989

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide (CID 90543826) is 2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide is COc1ccccc1OCC(=O)Nc1cc(N2CCN(C)CC2)ncn1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide?
The InChIKey is URXAZQDOHYWCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-22-7-9-23(10-8-22)17-11-16(19-13-20-17)21-18(24)12-26-15-6-4-3-5-14(15)25-2/h3-6,11,13H,7-10,12H2,1-2H3,(H,19,20,21,24).
What are the key properties of 2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide?
2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 90543826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).