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

C9H11ClN4O — CID 62341701

IUPAC3-[(2-chloropyrimidin-4-yl)amino]piperidin-2-one
SMILESO=C1NCCCC1Nc1ccnc(Cl)n1
InChIInChI=1S/C9H11ClN4O/c10-9-12-5-3-7(14-9)13-6-2-1-4-11-8(6)15/h3,5-6H,1-2,4H2,(H,11,15)(H,12,13,14)
InChIKeyYCSBJVAGKNMOQZ-UHFFFAOYSA-N
MW226.67 g/mol
LogP0.82
Rot. Bonds2

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

3-[(2-chloropyrimidin-4-yl)amino]piperidin-2-one (PubChem CID 62341701) has the molecular formula C9H11ClN4O and a molecular weight of 226.67 g/mol. Its IUPAC name is 3-[(2-chloropyrimidin-4-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(2-chloropyrimidin-4-yl)amino]piperidin-2-one
PubChem CID62341701
Molecular FormulaC9H11ClN4O
Molecular Weight226.67 g/mol
Exact Mass226.06
IUPAC Name3-[(2-chloropyrimidin-4-yl)amino]piperidin-2-one
SMILESO=C1NCCCC1Nc1ccnc(Cl)n1
InChIInChI=1S/C9H11ClN4O/c10-9-12-5-3-7(14-9)13-6-2-1-4-11-8(6)15/h3,5-6H,1-2,4H2,(H,11,15)(H,12,13,14)
InChIKeyYCSBJVAGKNMOQZ-UHFFFAOYSA-N
XLogP0.82
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2-chloropyrimidin-4-yl)amino]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(pyrimidin-4-ylamino)piperidin-2-one
CID 62093434
3-(quinolin-2-ylamino)piperidin-2-one
CID 62091961
3-[[6-(ethylamino)-2-pyridinyl]amino]piperidin-2-one
CID 80817247
2-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 60673860
3-[(6-hydrazinylpyrimidin-4-yl)amino]piperidin-2-one
CID 80908631
2-chloro-6-[[(3S)-2-oxopyrrolidin-3-yl]amino]pyrimidine-4-carboxylic acid
CID 118414656
3-(2,6-dichloroanilino)azepan-2-one
CID 65469586
3-[(2-chlorothiophen-3-yl)amino]piperidin-2-one
CID 130637835
(3S)-3-(pyrimidin-2-ylamino)azepan-2-one
CID 40506869
3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]piperidin-2-one
CID 80954552
3-[(5-bromopyrimidin-2-yl)amino]piperidin-2-one
CID 63873802
3-[(5-bromo-3-chloro-2-pyridinyl)amino]piperidin-2-one
CID 103582487

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloropyrimidin-4-yl)amino]piperidin-2-one?
The IUPAC name of 3-[(2-chloropyrimidin-4-yl)amino]piperidin-2-one (CID 62341701) is 3-[(2-chloropyrimidin-4-yl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(2-chloropyrimidin-4-yl)amino]piperidin-2-one?
The canonical SMILES for 3-[(2-chloropyrimidin-4-yl)amino]piperidin-2-one is O=C1NCCCC1Nc1ccnc(Cl)n1.
What is the InChIKey of 3-[(2-chloropyrimidin-4-yl)amino]piperidin-2-one?
The InChIKey is YCSBJVAGKNMOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O/c10-9-12-5-3-7(14-9)13-6-2-1-4-11-8(6)15/h3,5-6H,1-2,4H2,(H,11,15)(H,12,13,14).
What are the key properties of 3-[(2-chloropyrimidin-4-yl)amino]piperidin-2-one?
3-[(2-chloropyrimidin-4-yl)amino]piperidin-2-one has a molecular weight of 226.67 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloropyrimidin-4-yl)amino]piperidin-2-one is sourced from PubChem (CID 62341701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).