3-(pyrimidin-4-ylamino)piperidin-2-one

C9H12N4O — CID 62093434

IUPAC3-(pyrimidin-4-ylamino)piperidin-2-one
SMILESO=C1NCCCC1Nc1ccncn1
InChIInChI=1S/C9H12N4O/c14-9-7(2-1-4-11-9)13-8-3-5-10-6-12-8/h3,5-7H,1-2,4H2,(H,11,14)(H,10,12,13)
InChIKeyCWAIUNQPFZYKOW-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.17
Rot. Bonds2

About 3-(pyrimidin-4-ylamino)piperidin-2-one

3-(pyrimidin-4-ylamino)piperidin-2-one (PubChem CID 62093434) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-(pyrimidin-4-ylamino)piperidin-2-one.

Molecular Properties

Compound Name3-(pyrimidin-4-ylamino)piperidin-2-one
PubChem CID62093434
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name3-(pyrimidin-4-ylamino)piperidin-2-one
SMILESO=C1NCCCC1Nc1ccncn1
InChIInChI=1S/C9H12N4O/c14-9-7(2-1-4-11-9)13-8-3-5-10-6-12-8/h3,5-7H,1-2,4H2,(H,11,14)(H,10,12,13)
InChIKeyCWAIUNQPFZYKOW-UHFFFAOYSA-N
XLogP0.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chloropyrimidin-4-yl)amino]piperidin-2-one
CID 62341701
3-(pyrimidin-4-ylmethylamino)piperidin-2-one
CID 62748926
3-[(6-hydrazinylpyrimidin-4-yl)amino]piperidin-2-one
CID 80908631
3-[(6-propoxypyrimidin-4-yl)amino]piperidin-2-one
CID 66330181
3-[(3-nitro-4-pyridinyl)amino]piperidin-2-one
CID 62094517
3-(quinolin-2-ylamino)piperidin-2-one
CID 62091961
(3S)-3-(pyrimidin-2-ylamino)azepan-2-one
CID 40506869
3-[(5-bromopyrimidin-2-yl)amino]piperidin-2-one
CID 63873802
3-[[6-(ethylamino)-2-pyridinyl]amino]piperidin-2-one
CID 80817247
(3S)-3-[(4-phenyl-1,3,5-triazin-2-yl)amino]piperidin-2-one
CID 167750402
3-(1-pyridin-4-ylethylamino)piperidin-2-one
CID 62094103
3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]piperidin-2-one
CID 80954552

Frequently Asked Questions

What is the IUPAC name of 3-(pyrimidin-4-ylamino)piperidin-2-one?
The IUPAC name of 3-(pyrimidin-4-ylamino)piperidin-2-one (CID 62093434) is 3-(pyrimidin-4-ylamino)piperidin-2-one.
What is the SMILES notation for 3-(pyrimidin-4-ylamino)piperidin-2-one?
The canonical SMILES for 3-(pyrimidin-4-ylamino)piperidin-2-one is O=C1NCCCC1Nc1ccncn1.
What is the InChIKey of 3-(pyrimidin-4-ylamino)piperidin-2-one?
The InChIKey is CWAIUNQPFZYKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c14-9-7(2-1-4-11-9)13-8-3-5-10-6-12-8/h3,5-7H,1-2,4H2,(H,11,14)(H,10,12,13).
What are the key properties of 3-(pyrimidin-4-ylamino)piperidin-2-one?
3-(pyrimidin-4-ylamino)piperidin-2-one has a molecular weight of 192.22 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrimidin-4-ylamino)piperidin-2-one is sourced from PubChem (CID 62093434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).