4-[(5-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

C11H16N4O2 — CID 136679994

IUPAC4-[(5-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC2CNC(=O)C2)cc(=O)[nH]1
InChIInChI=1S/C11H16N4O2/c1-6(2)11-14-8(4-10(17)15-11)13-7-3-9(16)12-5-7/h4,6-7H,3,5H2,1-2H3,(H,12,16)(H2,13,14,15,17)
InChIKeyJYGLGTNVXJMOGE-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.19
Rot. Bonds3

About 4-[(5-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[(5-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136679994) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[(5-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(5-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136679994
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-[(5-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC2CNC(=O)C2)cc(=O)[nH]1
InChIInChI=1S/C11H16N4O2/c1-6(2)11-14-8(4-10(17)15-11)13-7-3-9(16)12-5-7/h4,6-7H,3,5H2,1-2H3,(H,12,16)(H2,13,14,15,17)
InChIKeyJYGLGTNVXJMOGE-UHFFFAOYSA-N
XLogP0.19
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 ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84687778
1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)ethyl]-5-oxo-3-pyrrolidinecarboxamide
CID 136231847
2-(1-aminoethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136326817
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136672456
4-(3-amino-4-methylpyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136677202
4-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136677203
4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136677207
2-methyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679991
2-cyclopropyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679996
4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679999
2-ethyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136680001
N-ethyl-N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
CID 136713570

Frequently Asked Questions

What is the IUPAC name of 4-[(5-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(5-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136679994) is 4-[(5-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(5-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(5-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NC2CNC(=O)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[(5-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is JYGLGTNVXJMOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-6(2)11-14-8(4-10(17)15-11)13-7-3-9(16)12-5-7/h4,6-7H,3,5H2,1-2H3,(H,12,16)(H2,13,14,15,17).
What are the key properties of 4-[(5-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(5-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 236.27 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136679994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).