5-chloro-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one

C9H11ClN4O2 — CID 136975253

IUPAC5-chloro-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESO=C1NCCCC1Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H11ClN4O2/c10-6-7(12-4-13-9(6)16)14-5-2-1-3-11-8(5)15/h4-5H,1-3H2,(H,11,15)(H2,12,13,14,16)
InChIKeyLALFTMNPGAWLLI-UHFFFAOYSA-N
MW242.67 g/mol
LogP0.11
Rot. Bonds2

About 5-chloro-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one

5-chloro-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136975253) has the molecular formula C9H11ClN4O2 and a molecular weight of 242.67 g/mol. Its IUPAC name is 5-chloro-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136975253
Molecular FormulaC9H11ClN4O2
Molecular Weight242.67 g/mol
Exact Mass242.06
IUPAC Name5-chloro-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESO=C1NCCCC1Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H11ClN4O2/c10-6-7(12-4-13-9(6)16)14-5-2-1-3-11-8(5)15/h4-5H,1-3H2,(H,11,15)(H2,12,13,14,16)
InChIKeyLALFTMNPGAWLLI-UHFFFAOYSA-N
XLogP0.11
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.67
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 136713572
4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136873262
5-iodo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956537
5-bromo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956539
4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956540
5-iodo-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956637
4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956640
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 136970799
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 136971074
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide
CID 136971080
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 136971083
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide
CID 136971087

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136975253) is 5-chloro-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is O=C1NCCCC1Nc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is LALFTMNPGAWLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2/c10-6-7(12-4-13-9(6)16)14-5-2-1-3-11-8(5)15/h4-5H,1-3H2,(H,11,15)(H2,12,13,14,16).
What are the key properties of 5-chloro-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 242.67 g/mol, XLogP of 0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).