3-[(5-methoxypyrimidin-2-yl)amino]piperidin-2-one

C10H14N4O2 — CID 114600542

IUPAC3-[(5-methoxypyrimidin-2-yl)amino]piperidin-2-one
SMILESCOc1cnc(NC2CCCNC2=O)nc1
InChIInChI=1S/C10H14N4O2/c1-16-7-5-12-10(13-6-7)14-8-3-2-4-11-9(8)15/h5-6,8H,2-4H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyPGFZFRHPRWWMHX-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.18
Rot. Bonds3

About 3-[(5-methoxypyrimidin-2-yl)amino]piperidin-2-one

3-[(5-methoxypyrimidin-2-yl)amino]piperidin-2-one (PubChem CID 114600542) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-[(5-methoxypyrimidin-2-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(5-methoxypyrimidin-2-yl)amino]piperidin-2-one
PubChem CID114600542
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name3-[(5-methoxypyrimidin-2-yl)amino]piperidin-2-one
SMILESCOc1cnc(NC2CCCNC2=O)nc1
InChIInChI=1S/C10H14N4O2/c1-16-7-5-12-10(13-6-7)14-8-3-2-4-11-9(8)15/h5-6,8H,2-4H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyPGFZFRHPRWWMHX-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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Related Compounds

3-[(5-bromopyrimidin-2-yl)amino]piperidin-2-one
CID 63873802
(3S)-3-(pyrimidin-2-ylamino)azepan-2-one
CID 40506869
3-[[3-(4-methoxyphenyl)cyclobutyl]amino]piperidin-2-one
CID 62092299
(3R)-3-[[5-(2-fluoro-3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-2-one
CID 90313369
N-(5-methoxypyrimidin-2-yl)azepan-3-amine
CID 114600932
3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 62093209
5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 114600875
3-(2-amino-4,5-dimethoxyanilino)piperidin-2-one
CID 83000897
3-[1-(4-methoxyphenyl)ethylamino]piperidin-2-one
CID 62092478
(3R)-3-[(3,6-dimethylpyrazin-2-yl)amino]azepan-2-one
CID 26458748
3-(pyrimidin-4-ylamino)piperidin-2-one
CID 62093434
3-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
CID 80797059

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxypyrimidin-2-yl)amino]piperidin-2-one?
The IUPAC name of 3-[(5-methoxypyrimidin-2-yl)amino]piperidin-2-one (CID 114600542) is 3-[(5-methoxypyrimidin-2-yl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(5-methoxypyrimidin-2-yl)amino]piperidin-2-one?
The canonical SMILES for 3-[(5-methoxypyrimidin-2-yl)amino]piperidin-2-one is COc1cnc(NC2CCCNC2=O)nc1.
What is the InChIKey of 3-[(5-methoxypyrimidin-2-yl)amino]piperidin-2-one?
The InChIKey is PGFZFRHPRWWMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-16-7-5-12-10(13-6-7)14-8-3-2-4-11-9(8)15/h5-6,8H,2-4H2,1H3,(H,11,15)(H,12,13,14).
What are the key properties of 3-[(5-methoxypyrimidin-2-yl)amino]piperidin-2-one?
3-[(5-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-[(5-methoxypyrimidin-2-yl)amino]piperidin-2-one is sourced from PubChem (CID 114600542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).