6-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione

C18H28N4O3 — CID 70772941

IUPAC6-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCCC1CCN1CCCC1
InChIInChI=1S/C18H28N4O3/c1-13-15(17(24)20-18(25)19-13)12-16(23)22-10-3-2-6-14(22)7-11-21-8-4-5-9-21/h14H,2-12H2,1H3,(H2,19,20,24,25)
InChIKeyHTGDQGQGQARMFV-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.78
Rot. Bonds5

About 6-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione

6-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 70772941) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 6-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
PubChem CID70772941
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name6-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCCC1CCN1CCCC1
InChIInChI=1S/C18H28N4O3/c1-13-15(17(24)20-18(25)19-13)12-16(23)22-10-3-2-6-14(22)7-11-21-8-4-5-9-21/h14H,2-12H2,1H3,(H2,19,20,24,25)
InChIKeyHTGDQGQGQARMFV-UHFFFAOYSA-N
XLogP0.78
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione 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-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 95111821
6-methyl-5-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 72878302
2-(2,5-dimethyl-1H-indol-3-yl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 92560101
5-[2-[2-(hydroxymethyl)azepan-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 116635867
3-methoxy-1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 95111813
5-[3-[(2R)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 94637332
2-(3-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone
CID 45143493
2-(4-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone;hydrochloride
CID 52984439
3-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137150707
1-[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-2-(4-chloro-3,5-dimethylphenoxy)ethanone
CID 17013771
(5-methyl-1H-pyrazol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70778532
[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 29348390

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione (CID 70772941) is 6-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCCC1CCN1CCCC1.
What is the InChIKey of 6-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is HTGDQGQGQARMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-13-15(17(24)20-18(25)19-13)12-16(23)22-10-3-2-6-14(22)7-11-21-8-4-5-9-21/h14H,2-12H2,1H3,(H2,19,20,24,25).
What are the key properties of 6-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 348.45 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70772941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).