2-ethyl-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one

C11H16N4O2 — CID 136975250

IUPAC2-ethyl-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NC2CCCNC2=O)cc(=O)[nH]1
InChIInChI=1S/C11H16N4O2/c1-2-8-14-9(6-10(16)15-8)13-7-4-3-5-12-11(7)17/h6-7H,2-5H2,1H3,(H,12,17)(H2,13,14,15,16)
InChIKeyZGUFWOWYCZCZHB-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.02
Rot. Bonds3

About 2-ethyl-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one

2-ethyl-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136975250) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-ethyl-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136975250
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-ethyl-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NC2CCCNC2=O)cc(=O)[nH]1
InChIInChI=1S/C11H16N4O2/c1-2-8-14-9(6-10(16)15-8)13-7-4-3-5-12-11(7)17/h6-7H,2-5H2,1H3,(H,12,17)(H2,13,14,15,16)
InChIKeyZGUFWOWYCZCZHB-UHFFFAOYSA-N
XLogP0.02
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N~1~-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-L-norvalinamide
CID 136664961
2-acetamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 142147356
Methane;3-(6-oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione
CID 142367643
2-(methylamino)-N-(4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetamide
CID 164573864
2-(1-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699557
4-amino-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 136077756
2-(1-aminoethyl)-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 136314515
2-methyl-4-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136568411
N-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 136663717
2-[4-(2-amino-6-oxo-1,6-dihydropyrimidin-4-yl)piperazin-1-yl]-N-cyclopentylpropanamide
CID 136663745
N~1~-[2-(4-amino-6-hydroxypyrimidin-2-yl)ethyl]-N~2~-methyl-L-alloisoleucinamide
CID 136665307
3-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanamide
CID 136784836

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136975250) is 2-ethyl-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is CCc1nc(NC2CCCNC2=O)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is ZGUFWOWYCZCZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-8-14-9(6-10(16)15-8)13-7-4-3-5-12-11(7)17/h6-7H,2-5H2,1H3,(H,12,17)(H2,13,14,15,16).
What are the key properties of 2-ethyl-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
2-ethyl-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 236.27 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).