4-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione

C11H16N6O3 — CID 80856196

IUPAC4-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione
SMILESCCCOc1nc(NC)nc(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C11H16N6O3/c1-3-4-20-11-15-9(12-2)14-10(16-11)17-5-7(18)13-8(19)6-17/h3-6H2,1-2H3,(H,13,18,19)(H,12,14,15,16)
InChIKeyITJDTWYMNPPBHR-UHFFFAOYSA-N
MW280.29 g/mol
LogP-0.84
Rot. Bonds5

About 4-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione

4-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione (PubChem CID 80856196) has the molecular formula C11H16N6O3 and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione
PubChem CID80856196
Molecular FormulaC11H16N6O3
Molecular Weight280.29 g/mol
Exact Mass280.13
IUPAC Name4-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione
SMILESCCCOc1nc(NC)nc(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C11H16N6O3/c1-3-4-20-11-15-9(12-2)14-10(16-11)17-5-7(18)13-8(19)6-17/h3-6H2,1-2H3,(H,13,18,19)(H,12,14,15,16)
InChIKeyITJDTWYMNPPBHR-UHFFFAOYSA-N
XLogP-0.84
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-(2-methylmorpholin-4-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80764718
4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione
CID 80855575
4-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80828072
N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80865018
N-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80853036
4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80793428
4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80921274
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
4-hexoxy-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80842498
4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80857692
4-(cyclopropylmethoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80865430
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 82751850

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione?
The IUPAC name of 4-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione (CID 80856196) is 4-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione.
What is the SMILES notation for 4-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione?
The canonical SMILES for 4-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione is CCCOc1nc(NC)nc(N2CC(=O)NC(=O)C2)n1.
What is the InChIKey of 4-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione?
The InChIKey is ITJDTWYMNPPBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O3/c1-3-4-20-11-15-9(12-2)14-10(16-11)17-5-7(18)13-8(19)6-17/h3-6H2,1-2H3,(H,13,18,19)(H,12,14,15,16).
What are the key properties of 4-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione?
4-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione has a molecular weight of 280.29 g/mol, XLogP of -0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione is sourced from PubChem (CID 80856196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).