3-[(4-methoxypyrimidin-2-yl)amino]piperidin-2-one

C10H14N4O2 — CID 47476528

IUPAC3-[(4-methoxypyrimidin-2-yl)amino]piperidin-2-one
SMILESCOc1ccnc(NC2CCCNC2=O)n1
InChIInChI=1S/C10H14N4O2/c1-16-8-4-6-12-10(14-8)13-7-3-2-5-11-9(7)15/h4,6-7H,2-3,5H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyHNIVTKGXFDEPSQ-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.18
Rot. Bonds3

About 3-[(4-methoxypyrimidin-2-yl)amino]piperidin-2-one

3-[(4-methoxypyrimidin-2-yl)amino]piperidin-2-one (PubChem CID 47476528) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-[(4-methoxypyrimidin-2-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(4-methoxypyrimidin-2-yl)amino]piperidin-2-one
PubChem CID47476528
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name3-[(4-methoxypyrimidin-2-yl)amino]piperidin-2-one
SMILESCOc1ccnc(NC2CCCNC2=O)n1
InChIInChI=1S/C10H14N4O2/c1-16-8-4-6-12-10(14-8)13-7-3-2-5-11-9(7)15/h4,6-7H,2-3,5H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyHNIVTKGXFDEPSQ-UHFFFAOYSA-N
XLogP0.18
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxypyrimidin-2-yl)amino]piperidin-2-one?
The IUPAC name of 3-[(4-methoxypyrimidin-2-yl)amino]piperidin-2-one (CID 47476528) is 3-[(4-methoxypyrimidin-2-yl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(4-methoxypyrimidin-2-yl)amino]piperidin-2-one?
The canonical SMILES for 3-[(4-methoxypyrimidin-2-yl)amino]piperidin-2-one is COc1ccnc(NC2CCCNC2=O)n1.
What is the InChIKey of 3-[(4-methoxypyrimidin-2-yl)amino]piperidin-2-one?
The InChIKey is HNIVTKGXFDEPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-16-8-4-6-12-10(14-8)13-7-3-2-5-11-9(7)15/h4,6-7H,2-3,5H2,1H3,(H,11,15)(H,12,13,14).
What are the key properties of 3-[(4-methoxypyrimidin-2-yl)amino]piperidin-2-one?
3-[(4-methoxypyrimidin-2-yl)amino]piperidin-2-one has a molecular weight of 222.25 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxypyrimidin-2-yl)amino]piperidin-2-one is sourced from PubChem (CID 47476528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).