2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

C25H29N5O2 — CID 91903943

IUPAC2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2c(N3CCN(c4ccccc4)CC3)nc(C)cc2=O)cc1
InChIInChI=1S/C25H29N5O2/c1-19-8-10-21(11-9-19)17-26-23(31)18-30-24(32)16-20(2)27-25(30)29-14-12-28(13-15-29)22-6-4-3-5-7-22/h3-11,16H,12-15,17-18H2,1-2H3,(H,26,31)
InChIKeyBRYCCKMZWKVDKW-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.50
Rot. Bonds6

About 2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 91903943) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID91903943
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2c(N3CCN(c4ccccc4)CC3)nc(C)cc2=O)cc1
InChIInChI=1S/C25H29N5O2/c1-19-8-10-21(11-9-19)17-26-23(31)18-30-24(32)16-20(2)27-25(30)29-14-12-28(13-15-29)22-6-4-3-5-7-22/h3-11,16H,12-15,17-18H2,1-2H3,(H,26,31)
InChIKeyBRYCCKMZWKVDKW-UHFFFAOYSA-N
XLogP2.50
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 91903943) is 2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cn2c(N3CCN(c4ccccc4)CC3)nc(C)cc2=O)cc1.
What is the InChIKey of 2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is BRYCCKMZWKVDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-19-8-10-21(11-9-19)17-26-23(31)18-30-24(32)16-20(2)27-25(30)29-14-12-28(13-15-29)22-6-4-3-5-7-22/h3-11,16H,12-15,17-18H2,1-2H3,(H,26,31).
What are the key properties of 2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 91903943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).