2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide

C18H23N5O2 — CID 122299107

IUPAC2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
SMILESCc1ccc(OCC(=O)Nc2cnc(N3CCN(C)CC3)nc2)cc1
InChIInChI=1S/C18H23N5O2/c1-14-3-5-16(6-4-14)25-13-17(24)21-15-11-19-18(20-12-15)23-9-7-22(2)8-10-23/h3-6,11-12H,7-10,13H2,1-2H3,(H,21,24)
InChIKeySATRNDBLTLHLCV-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.55
Rot. Bonds5

About 2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide

2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide (PubChem CID 122299107) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
PubChem CID122299107
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
SMILESCc1ccc(OCC(=O)Nc2cnc(N3CCN(C)CC3)nc2)cc1
InChIInChI=1S/C18H23N5O2/c1-14-3-5-16(6-4-14)25-13-17(24)21-15-11-19-18(20-12-15)23-9-7-22(2)8-10-23/h3-6,11-12H,7-10,13H2,1-2H3,(H,21,24)
InChIKeySATRNDBLTLHLCV-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(4-methylphenoxy)acetamide
CID 122357173
2-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 91967926
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrimidin-2-yloxyacetamide
CID 91967980
2-(4-fluorophenoxy)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164713
2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160208
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 122357170
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
2-(4-fluorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 122300013
N-(4-ethoxyphenyl)-2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]acetamide
CID 133404758
2-(4-methoxy-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 122299176
2-(4-acetamidophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992887
2-(4-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164666

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide (CID 122299107) is 2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide is Cc1ccc(OCC(=O)Nc2cnc(N3CCN(C)CC3)nc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide?
The InChIKey is SATRNDBLTLHLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-14-3-5-16(6-4-14)25-13-17(24)21-15-11-19-18(20-12-15)23-9-7-22(2)8-10-23/h3-6,11-12H,7-10,13H2,1-2H3,(H,21,24).
What are the key properties of 2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide?
2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide has a molecular weight of 341.42 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 122299107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).