5-ethyl-2-(1-piperidin-4-ylpyrrolidin-3-yl)-1H-pyrimidin-6-one

C15H24N4O — CID 169149103

IUPAC5-ethyl-2-(1-piperidin-4-ylpyrrolidin-3-yl)-1H-pyrimidin-6-one
SMILESCCc1cnc(C2CCN(C3CCNCC3)C2)[nH]c1=O
InChIInChI=1S/C15H24N4O/c1-2-11-9-17-14(18-15(11)20)12-5-8-19(10-12)13-3-6-16-7-4-13/h9,12-13,16H,2-8,10H2,1H3,(H,17,18,20)
InChIKeyYGBYUISPPPWLFH-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.87
Rot. Bonds3

About 5-ethyl-2-(1-piperidin-4-ylpyrrolidin-3-yl)-1H-pyrimidin-6-one

5-ethyl-2-(1-piperidin-4-ylpyrrolidin-3-yl)-1H-pyrimidin-6-one (PubChem CID 169149103) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-ethyl-2-(1-piperidin-4-ylpyrrolidin-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-2-(1-piperidin-4-ylpyrrolidin-3-yl)-1H-pyrimidin-6-one
PubChem CID169149103
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name5-ethyl-2-(1-piperidin-4-ylpyrrolidin-3-yl)-1H-pyrimidin-6-one
SMILESCCc1cnc(C2CCN(C3CCNCC3)C2)[nH]c1=O
InChIInChI=1S/C15H24N4O/c1-2-11-9-17-14(18-15(11)20)12-5-8-19(10-12)13-3-6-16-7-4-13/h9,12-13,16H,2-8,10H2,1H3,(H,17,18,20)
InChIKeyYGBYUISPPPWLFH-UHFFFAOYSA-N
XLogP0.87
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(2-oxo-2-{2-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl}ethyl)-4(3H)-pyrimidinone
CID 70711114
2-[1-(4,4-difluorocyclohexyl)pyrrolidin-3-yl]-5-ethyl-1H-pyrimidin-6-one
CID 169149090
2-isopropyl-5-{[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]carbonyl}pyrimidin-4(3H)-one
CID 56872069
5-ethyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 84664919
tert-butyl 4-[3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]piperidine-1-carboxylate
CID 169148576
tert-butyl 4-[(3S)-3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]piperidine-1-carboxylate
CID 169764202
tert-butyl 4-[(3R)-3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]piperidine-1-carboxylate
CID 169764734
2-methyl-5-(2-oxo-2-{4-[2-(2-oxo-1-pyrrolidinyl)ethyl]-1-piperidinyl}ethyl)-4(3H)-pyrimidinone
CID 70769103
2-methyl-5-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
CID 70785403
5-ethyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 84664920
2-(2-aminopropyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 84666368
5-propan-2-yl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 84675415

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(1-piperidin-4-ylpyrrolidin-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-2-(1-piperidin-4-ylpyrrolidin-3-yl)-1H-pyrimidin-6-one (CID 169149103) is 5-ethyl-2-(1-piperidin-4-ylpyrrolidin-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-2-(1-piperidin-4-ylpyrrolidin-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-2-(1-piperidin-4-ylpyrrolidin-3-yl)-1H-pyrimidin-6-one is CCc1cnc(C2CCN(C3CCNCC3)C2)[nH]c1=O.
What is the InChIKey of 5-ethyl-2-(1-piperidin-4-ylpyrrolidin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is YGBYUISPPPWLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-11-9-17-14(18-15(11)20)12-5-8-19(10-12)13-3-6-16-7-4-13/h9,12-13,16H,2-8,10H2,1H3,(H,17,18,20).
What are the key properties of 5-ethyl-2-(1-piperidin-4-ylpyrrolidin-3-yl)-1H-pyrimidin-6-one?
5-ethyl-2-(1-piperidin-4-ylpyrrolidin-3-yl)-1H-pyrimidin-6-one has a molecular weight of 276.38 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(1-piperidin-4-ylpyrrolidin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 169149103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).