6-methyl-3-[2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione

C16H24N4O3 — CID 56865755

IUPAC6-methyl-3-[2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(CCN2CCC(N3CCCC3=O)CC2)c(=O)[nH]1
InChIInChI=1S/C16H24N4O3/c1-12-11-15(22)20(16(23)17-12)10-9-18-7-4-13(5-8-18)19-6-2-3-14(19)21/h11,13H,2-10H2,1H3,(H,17,23)
InChIKeyUCTZLOPLXQUVIH-UHFFFAOYSA-N
MW320.39 g/mol
LogP-0.07
Rot. Bonds4

About 6-methyl-3-[2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione

6-methyl-3-[2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 56865755) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 6-methyl-3-[2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-3-[2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
PubChem CID56865755
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name6-methyl-3-[2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(CCN2CCC(N3CCCC3=O)CC2)c(=O)[nH]1
InChIInChI=1S/C16H24N4O3/c1-12-11-15(22)20(16(23)17-12)10-9-18-7-4-13(5-8-18)19-6-2-3-14(19)21/h11,13H,2-10H2,1H3,(H,17,23)
InChIKeyUCTZLOPLXQUVIH-UHFFFAOYSA-N
XLogP-0.07
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-3-[2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione (CID 56865755) is 6-methyl-3-[2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-3-[2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-3-[2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione is Cc1cc(=O)n(CCN2CCC(N3CCCC3=O)CC2)c(=O)[nH]1.
What is the InChIKey of 6-methyl-3-[2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is UCTZLOPLXQUVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-12-11-15(22)20(16(23)17-12)10-9-18-7-4-13(5-8-18)19-6-2-3-14(19)21/h11,13H,2-10H2,1H3,(H,17,23).
What are the key properties of 6-methyl-3-[2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
6-methyl-3-[2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 320.39 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56865755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).