4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]piperazine-2,6-dione

C10H12ClN5O2 — CID 80855498

IUPAC4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]piperazine-2,6-dione
SMILESCCNc1ncc(Cl)c(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C10H12ClN5O2/c1-2-12-10-13-3-6(11)9(15-10)16-4-7(17)14-8(18)5-16/h3H,2,4-5H2,1H3,(H,12,13,15)(H,14,17,18)
InChIKeyPCDBADCVCBOVFF-UHFFFAOYSA-N
MW269.69 g/mol
LogP0.02
Rot. Bonds3

About 4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]piperazine-2,6-dione

4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]piperazine-2,6-dione (PubChem CID 80855498) has the molecular formula C10H12ClN5O2 and a molecular weight of 269.69 g/mol. Its IUPAC name is 4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]piperazine-2,6-dione
PubChem CID80855498
Molecular FormulaC10H12ClN5O2
Molecular Weight269.69 g/mol
Exact Mass269.07
IUPAC Name4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]piperazine-2,6-dione
SMILESCCNc1ncc(Cl)c(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C10H12ClN5O2/c1-2-12-10-13-3-6(11)9(15-10)16-4-7(17)14-8(18)5-16/h3H,2,4-5H2,1H3,(H,12,13,15)(H,14,17,18)
InChIKeyPCDBADCVCBOVFF-UHFFFAOYSA-N
XLogP0.02
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazine-2,6-dione
CID 80851228
5-chloro-N-ethyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80836911
4-(4-tert-butylpiperazin-1-yl)-5-chloro-N-ethylpyrimidin-2-amine
CID 80796160
5-chloro-4-(2,6-dimethylmorpholin-4-yl)-N-ethylpyrimidin-2-amine
CID 80764781
5-chloro-N-ethyl-4-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 80766486
5-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-ethylpyrimidin-2-amine
CID 80831106
4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]piperazin-2-one
CID 80763945
4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-3,3-dimethylpiperazine-2,6-dione
CID 80851307
4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]piperazine-2,6-dione
CID 102758853
5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764211
4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80856428
5-chloro-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-2-amine
CID 102746619

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]piperazine-2,6-dione?
The IUPAC name of 4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]piperazine-2,6-dione (CID 80855498) is 4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]piperazine-2,6-dione.
What is the SMILES notation for 4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]piperazine-2,6-dione?
The canonical SMILES for 4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]piperazine-2,6-dione is CCNc1ncc(Cl)c(N2CC(=O)NC(=O)C2)n1.
What is the InChIKey of 4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]piperazine-2,6-dione?
The InChIKey is PCDBADCVCBOVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O2/c1-2-12-10-13-3-6(11)9(15-10)16-4-7(17)14-8(18)5-16/h3H,2,4-5H2,1H3,(H,12,13,15)(H,14,17,18).
What are the key properties of 4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]piperazine-2,6-dione?
4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]piperazine-2,6-dione has a molecular weight of 269.69 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]piperazine-2,6-dione is sourced from PubChem (CID 80855498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).