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

C12H18N4O2 — CID 137016353

IUPAC4-[(2-oxopiperidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC2CCCNC2=O)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O2/c1-7(2)11-15-9(6-10(17)16-11)14-8-4-3-5-13-12(8)18/h6-8H,3-5H2,1-2H3,(H,13,18)(H2,14,15,16,17)
InChIKeyBVMGFLBGPXGILZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.58
Rot. Bonds3

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

4-[(2-oxopiperidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 137016353) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[(2-oxopiperidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-oxopiperidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID137016353
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-[(2-oxopiperidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC2CCCNC2=O)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O2/c1-7(2)11-15-9(6-10(17)16-11)14-8-4-3-5-13-12(8)18/h6-8H,3-5H2,1-2H3,(H,13,18)(H2,14,15,16,17)
InChIKeyBVMGFLBGPXGILZ-UHFFFAOYSA-N
XLogP0.58
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxopiperidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-oxopiperidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 137016353) is 4-[(2-oxopiperidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-oxopiperidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-oxopiperidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NC2CCCNC2=O)cc(=O)[nH]1.
What is the InChIKey of 4-[(2-oxopiperidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is BVMGFLBGPXGILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-7(2)11-15-9(6-10(17)16-11)14-8-4-3-5-13-12(8)18/h6-8H,3-5H2,1-2H3,(H,13,18)(H2,14,15,16,17).
What are the key properties of 4-[(2-oxopiperidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(2-oxopiperidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 250.30 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxopiperidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137016353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).