1-[2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one

C19H30N6O — CID 165432024

IUPAC1-[2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
SMILESCc1nc(N2CCCC2)cc(N2CCN(CCN3CCCC3=O)CC2)n1
InChIInChI=1S/C19H30N6O/c1-16-20-17(23-6-2-3-7-23)15-18(21-16)24-12-9-22(10-13-24)11-14-25-8-4-5-19(25)26/h15H,2-14H2,1H3
InChIKeyOCFSWNZRDSPIJS-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.13
Rot. Bonds5

About 1-[2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one

1-[2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 165432024) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-[2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
PubChem CID165432024
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name1-[2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
SMILESCc1nc(N2CCCC2)cc(N2CCN(CCN3CCCC3=O)CC2)n1
InChIInChI=1S/C19H30N6O/c1-16-20-17(23-6-2-3-7-23)15-18(21-16)24-12-9-22(10-13-24)11-14-25-8-4-5-19(25)26/h15H,2-14H2,1H3
InChIKeyOCFSWNZRDSPIJS-UHFFFAOYSA-N
XLogP1.13
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-6-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine-2,4-dione
CID 155942358
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one;hydrochloride
CID 118727900
1-(azepan-1-yl)-2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 154829879
1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 118727897
1-[2-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 126896197
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889
4-[[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol
CID 163354551
2-methyl-4-piperidin-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 166605105
2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 155800366
3-[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 54939146
4-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 91837844
1-[2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]ethyl]azepan-2-one
CID 126895890

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one (CID 165432024) is 1-[2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one is Cc1nc(N2CCCC2)cc(N2CCN(CCN3CCCC3=O)CC2)n1.
What is the InChIKey of 1-[2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is OCFSWNZRDSPIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-16-20-17(23-6-2-3-7-23)15-18(21-16)24-12-9-22(10-13-24)11-14-25-8-4-5-19(25)26/h15H,2-14H2,1H3.
What are the key properties of 1-[2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
1-[2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 358.49 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 165432024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).