3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione

C10H11ClN4O3 — CID 136976215

IUPAC3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(Nc2nc[nH]c(=O)c2Cl)C1=O
InChIInChI=1S/C10H11ClN4O3/c1-15-6(16)3-2-5(10(15)18)14-8-7(11)9(17)13-4-12-8/h4-5H,2-3H2,1H3,(H2,12,13,14,17)
InChIKeyKGJZDNCQROICGT-UHFFFAOYSA-N
MW270.68 g/mol
LogP-0.02
Rot. Bonds2

About 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione

3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione (PubChem CID 136976215) has the molecular formula C10H11ClN4O3 and a molecular weight of 270.68 g/mol. Its IUPAC name is 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
PubChem CID136976215
Molecular FormulaC10H11ClN4O3
Molecular Weight270.68 g/mol
Exact Mass270.05
IUPAC Name3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(Nc2nc[nH]c(=O)c2Cl)C1=O
InChIInChI=1S/C10H11ClN4O3/c1-15-6(16)3-2-5(10(15)18)14-8-7(11)9(17)13-4-12-8/h4-5H,2-3H2,1H3,(H2,12,13,14,17)
InChIKeyKGJZDNCQROICGT-UHFFFAOYSA-N
XLogP-0.02
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.68
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione with MolForge

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Related Compounds

Methane;3-(6-oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione
CID 142367643
3-(5-Amino-4-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione;ethane
CID 177998536
3-(5-Amino-4-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione;ethane
CID 177998681
5-iodo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956744
4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956747
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
5-chloro-4-(2,2-dimethyl-3-oxopiperazin-1-yl)-1H-pyrimidin-6-one
CID 136971299
5-chloro-4-(2-methyl-3-oxopiperazin-1-yl)-1H-pyrimidin-6-one
CID 136971302
5-chloro-4-(2-ethyl-3-oxopiperazin-1-yl)-1H-pyrimidin-6-one
CID 136971305

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione (CID 136976215) is 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione is CN1C(=O)CCC(Nc2nc[nH]c(=O)c2Cl)C1=O.
What is the InChIKey of 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The InChIKey is KGJZDNCQROICGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O3/c1-15-6(16)3-2-5(10(15)18)14-8-7(11)9(17)13-4-12-8/h4-5H,2-3H2,1H3,(H2,12,13,14,17).
What are the key properties of 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione has a molecular weight of 270.68 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 136976215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).