4-[4-(3-ethyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one

C15H23N5O2 — CID 136568919

IUPAC4-[4-(3-ethyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCCN1CCN(C2CCN(c3cc(=O)[nH]c(C)n3)CC2)C1=O
InChIInChI=1S/C15H23N5O2/c1-3-18-8-9-20(15(18)22)12-4-6-19(7-5-12)13-10-14(21)17-11(2)16-13/h10,12H,3-9H2,1-2H3,(H,16,17,21)
InChIKeyPAXYINXHYVEASZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.80
Rot. Bonds3

About 4-[4-(3-ethyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one

4-[4-(3-ethyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136568919) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[4-(3-ethyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(3-ethyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136568919
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name4-[4-(3-ethyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCCN1CCN(C2CCN(c3cc(=O)[nH]c(C)n3)CC2)C1=O
InChIInChI=1S/C15H23N5O2/c1-3-18-8-9-20(15(18)22)12-4-6-19(7-5-12)13-10-14(21)17-11(2)16-13/h10,12H,3-9H2,1-2H3,(H,16,17,21)
InChIKeyPAXYINXHYVEASZ-UHFFFAOYSA-N
XLogP0.80
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-ethyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(3-ethyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one (CID 136568919) is 4-[4-(3-ethyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(3-ethyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(3-ethyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one is CCN1CCN(C2CCN(c3cc(=O)[nH]c(C)n3)CC2)C1=O.
What is the InChIKey of 4-[4-(3-ethyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is PAXYINXHYVEASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-3-18-8-9-20(15(18)22)12-4-6-19(7-5-12)13-10-14(21)17-11(2)16-13/h10,12H,3-9H2,1-2H3,(H,16,17,21).
What are the key properties of 4-[4-(3-ethyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
4-[4-(3-ethyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 305.38 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-ethyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136568919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).