3-[(6-propoxypyrimidin-4-yl)amino]piperidin-2-one

C12H18N4O2 — CID 66330181

IUPAC3-[(6-propoxypyrimidin-4-yl)amino]piperidin-2-one
SMILESCCCOc1cc(NC2CCCNC2=O)ncn1
InChIInChI=1S/C12H18N4O2/c1-2-6-18-11-7-10(14-8-15-11)16-9-4-3-5-13-12(9)17/h7-9H,2-6H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyPNRKQYFBWRGEOJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.96
Rot. Bonds5

About 3-[(6-propoxypyrimidin-4-yl)amino]piperidin-2-one

3-[(6-propoxypyrimidin-4-yl)amino]piperidin-2-one (PubChem CID 66330181) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[(6-propoxypyrimidin-4-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(6-propoxypyrimidin-4-yl)amino]piperidin-2-one
PubChem CID66330181
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-[(6-propoxypyrimidin-4-yl)amino]piperidin-2-one
SMILESCCCOc1cc(NC2CCCNC2=O)ncn1
InChIInChI=1S/C12H18N4O2/c1-2-6-18-11-7-10(14-8-15-11)16-9-4-3-5-13-12(9)17/h7-9H,2-6H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyPNRKQYFBWRGEOJ-UHFFFAOYSA-N
XLogP0.96
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-propoxypyrimidin-4-yl)amino]piperidin-2-one?
The IUPAC name of 3-[(6-propoxypyrimidin-4-yl)amino]piperidin-2-one (CID 66330181) is 3-[(6-propoxypyrimidin-4-yl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(6-propoxypyrimidin-4-yl)amino]piperidin-2-one?
The canonical SMILES for 3-[(6-propoxypyrimidin-4-yl)amino]piperidin-2-one is CCCOc1cc(NC2CCCNC2=O)ncn1.
What is the InChIKey of 3-[(6-propoxypyrimidin-4-yl)amino]piperidin-2-one?
The InChIKey is PNRKQYFBWRGEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-6-18-11-7-10(14-8-15-11)16-9-4-3-5-13-12(9)17/h7-9H,2-6H2,1H3,(H,13,17)(H,14,15,16).
What are the key properties of 3-[(6-propoxypyrimidin-4-yl)amino]piperidin-2-one?
3-[(6-propoxypyrimidin-4-yl)amino]piperidin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-propoxypyrimidin-4-yl)amino]piperidin-2-one is sourced from PubChem (CID 66330181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).