4-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione

C14H21N5O2 — CID 80992565

IUPAC4-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione
SMILESCCCNc1nc(CC)nc(N2CC(=O)NC(=O)C2)c1C
InChIInChI=1S/C14H21N5O2/c1-4-6-15-13-9(3)14(17-10(5-2)16-13)19-7-11(20)18-12(21)8-19/h4-8H2,1-3H3,(H,15,16,17)(H,18,20,21)
InChIKeyGLWADJLQCZVZEG-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.63
Rot. Bonds5

About 4-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione

4-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione (PubChem CID 80992565) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione
PubChem CID80992565
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name4-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione
SMILESCCCNc1nc(CC)nc(N2CC(=O)NC(=O)C2)c1C
InChIInChI=1S/C14H21N5O2/c1-4-6-15-13-9(3)14(17-10(5-2)16-13)19-7-11(20)18-12(21)8-19/h4-8H2,1-3H3,(H,15,16,17)(H,18,20,21)
InChIKeyGLWADJLQCZVZEG-UHFFFAOYSA-N
XLogP0.63
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.63
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

1-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one
CID 80983649
4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazine-2,6-dione
CID 80978472
2-ethyl-5-methyl-N-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
CID 80992240
4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]piperazine-2,6-dione
CID 102758853
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
2-ethyl-5-methyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332058
2-ethyl-5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80992555
1-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
CID 80981249
2-ethyl-5-methyl-6-N-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
CID 106219432
N,2-diethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 80984912
4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-methylpiperazin-2-one
CID 81006102

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione?
The IUPAC name of 4-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione (CID 80992565) is 4-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione is CCCNc1nc(CC)nc(N2CC(=O)NC(=O)C2)c1C.
What is the InChIKey of 4-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione?
The InChIKey is GLWADJLQCZVZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-4-6-15-13-9(3)14(17-10(5-2)16-13)19-7-11(20)18-12(21)8-19/h4-8H2,1-3H3,(H,15,16,17)(H,18,20,21).
What are the key properties of 4-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione?
4-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione has a molecular weight of 291.36 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione is sourced from PubChem (CID 80992565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).