2-(4-methoxy-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide

C19H25N5O2 — CID 122299176

IUPAC2-(4-methoxy-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cnc(N3CCN(C)CC3)nc2)cc1C
InChIInChI=1S/C19H25N5O2/c1-14-10-15(4-5-17(14)26-3)11-18(25)22-16-12-20-19(21-13-16)24-8-6-23(2)7-9-24/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,22,25)
InChIKeyVGQLWVDGZVRPGV-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.73
Rot. Bonds5

About 2-(4-methoxy-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide

2-(4-methoxy-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide (PubChem CID 122299176) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
PubChem CID122299176
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-(4-methoxy-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cnc(N3CCN(C)CC3)nc2)cc1C
InChIInChI=1S/C19H25N5O2/c1-14-10-15(4-5-17(14)26-3)11-18(25)22-16-12-20-19(21-13-16)24-8-6-23(2)7-9-24/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,22,25)
InChIKeyVGQLWVDGZVRPGV-UHFFFAOYSA-N
XLogP1.73
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxy-3-methylphenyl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301081
2-(4-methoxy-3-methylphenyl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301385
2-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 91967926
2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298244
2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 122299107
2-(4-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164666
N-[(4-methoxy-3-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 71934378
2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298207
N-(4-chlorophenyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848482
N-(3,5-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848483
2-(3-methoxy-4-methylphenyl)-N-(4-methoxy-3-methylphenyl)acetamide
CID 87032377
2-(3-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 122298592

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide (CID 122299176) is 2-(4-methoxy-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide is COc1ccc(CC(=O)Nc2cnc(N3CCN(C)CC3)nc2)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide?
The InChIKey is VGQLWVDGZVRPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-10-15(4-5-17(14)26-3)11-18(25)22-16-12-20-19(21-13-16)24-8-6-23(2)7-9-24/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,22,25).
What are the key properties of 2-(4-methoxy-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide?
2-(4-methoxy-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 122299176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).