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

C11H15N5O2 — CID 80855501

IUPAC4-[6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione
SMILESCCCNc1cc(N2CC(=O)NC(=O)C2)ncn1
InChIInChI=1S/C11H15N5O2/c1-2-3-12-8-4-9(14-7-13-8)16-5-10(17)15-11(18)6-16/h4,7H,2-3,5-6H2,1H3,(H,12,13,14)(H,15,17,18)
InChIKeyKLSVHWWBVMADSF-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.24
Rot. Bonds4

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

4-[6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione (PubChem CID 80855501) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-[6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione
PubChem CID80855501
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name4-[6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione
SMILESCCCNc1cc(N2CC(=O)NC(=O)C2)ncn1
InChIInChI=1S/C11H15N5O2/c1-2-3-12-8-4-9(14-7-13-8)16-5-10(17)15-11(18)6-16/h4,7H,2-3,5-6H2,1H3,(H,12,13,14)(H,15,17,18)
InChIKeyKLSVHWWBVMADSF-UHFFFAOYSA-N
XLogP-0.24
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.24
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

6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine
CID 80822758
6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80764701
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine
CID 80831792
4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 102971029
4-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperazine-2,6-dione
CID 66061656
5-[6-(propylamino)pyrimidin-4-yl]-1,3-dihydroindol-2-one
CID 118033824
4-[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]piperazine-2,6-dione
CID 80832762
1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112855082
6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine
CID 112857956
2-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
CID 82693758
4-[6-(ethylamino)pyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one
CID 80765124
6-morpholin-4-yl-N-pentylpyrimidin-4-amine
CID 112857074

Frequently Asked Questions

What is the IUPAC name of 4-[6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione?
The IUPAC name of 4-[6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione (CID 80855501) is 4-[6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione.
What is the SMILES notation for 4-[6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione?
The canonical SMILES for 4-[6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione is CCCNc1cc(N2CC(=O)NC(=O)C2)ncn1.
What is the InChIKey of 4-[6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione?
The InChIKey is KLSVHWWBVMADSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-2-3-12-8-4-9(14-7-13-8)16-5-10(17)15-11(18)6-16/h4,7H,2-3,5-6H2,1H3,(H,12,13,14)(H,15,17,18).
What are the key properties of 4-[6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione?
4-[6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione has a molecular weight of 249.27 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione is sourced from PubChem (CID 80855501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).