1-[2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]acetyl]pyrrolidin-2-one

C17H25N5O2 — CID 46957707

IUPAC1-[2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]acetyl]pyrrolidin-2-one
SMILESCCc1nc(C)cc(N2CCN(CC(=O)N3CCCC3=O)CC2)n1
InChIInChI=1S/C17H25N5O2/c1-3-14-18-13(2)11-15(19-14)21-9-7-20(8-10-21)12-17(24)22-6-4-5-16(22)23/h11H,3-10,12H2,1-2H3
InChIKeyBVNDYWQLDDNCNN-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.62
Rot. Bonds4

About 1-[2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]acetyl]pyrrolidin-2-one

1-[2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]acetyl]pyrrolidin-2-one (PubChem CID 46957707) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]acetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]acetyl]pyrrolidin-2-one
PubChem CID46957707
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-[2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]acetyl]pyrrolidin-2-one
SMILESCCc1nc(C)cc(N2CCN(CC(=O)N3CCCC3=O)CC2)n1
InChIInChI=1S/C17H25N5O2/c1-3-14-18-13(2)11-15(19-14)21-9-7-20(8-10-21)12-17(24)22-6-4-5-16(22)23/h11H,3-10,12H2,1-2H3
InChIKeyBVNDYWQLDDNCNN-UHFFFAOYSA-N
XLogP0.62
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]acetyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone;ethane
CID 123957128
1-(azepan-1-yl)-2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 154829879
methyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 114276570
2-[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]acetic acid
CID 55118911
[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 100759265
2-[4-(2-ethyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 56768591
1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 58266958
[4-(azetidin-1-yl)-6-methylpyrimidin-2-yl]methanol
CID 130978683
1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 51244375
2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
CID 100758945
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
CID 121137147
2-ethyl-4-methyl-6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]pyrimidine
CID 46969861

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]acetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]acetyl]pyrrolidin-2-one (CID 46957707) is 1-[2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]acetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]acetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]acetyl]pyrrolidin-2-one is CCc1nc(C)cc(N2CCN(CC(=O)N3CCCC3=O)CC2)n1.
What is the InChIKey of 1-[2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]acetyl]pyrrolidin-2-one?
The InChIKey is BVNDYWQLDDNCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-3-14-18-13(2)11-15(19-14)21-9-7-20(8-10-21)12-17(24)22-6-4-5-16(22)23/h11H,3-10,12H2,1-2H3.
What are the key properties of 1-[2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]acetyl]pyrrolidin-2-one?
1-[2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]acetyl]pyrrolidin-2-one has a molecular weight of 331.42 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]acetyl]pyrrolidin-2-one is sourced from PubChem (CID 46957707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).