8-cyclopentyl-3-[3-[2-(dimethylamino)ethylamino]propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

C18H29N7O3 — CID 67307574

IUPAC8-cyclopentyl-3-[3-[2-(dimethylamino)ethylamino]propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCN(C)CCNCCCOc1nnc2c(n1)c(=O)n(C)c(=O)n2C1CCCC1
InChIInChI=1S/C18H29N7O3/c1-23(2)11-10-19-9-6-12-28-17-20-14-15(21-22-17)25(13-7-4-5-8-13)18(27)24(3)16(14)26/h13,19H,4-12H2,1-3H3
InChIKeyMPOFCUCKHVAXEE-UHFFFAOYSA-N
MW391.48 g/mol
LogP-0.08
Rot. Bonds9

About 8-cyclopentyl-3-[3-[2-(dimethylamino)ethylamino]propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

8-cyclopentyl-3-[3-[2-(dimethylamino)ethylamino]propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 67307574) has the molecular formula C18H29N7O3 and a molecular weight of 391.48 g/mol. Its IUPAC name is 8-cyclopentyl-3-[3-[2-(dimethylamino)ethylamino]propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name8-cyclopentyl-3-[3-[2-(dimethylamino)ethylamino]propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID67307574
Molecular FormulaC18H29N7O3
Molecular Weight391.48 g/mol
Exact Mass391.23
IUPAC Name8-cyclopentyl-3-[3-[2-(dimethylamino)ethylamino]propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCN(C)CCNCCCOc1nnc2c(n1)c(=O)n(C)c(=O)n2C1CCCC1
InChIInChI=1S/C18H29N7O3/c1-23(2)11-10-19-9-6-12-28-17-20-14-15(21-22-17)25(13-7-4-5-8-13)18(27)24(3)16(14)26/h13,19H,4-12H2,1-3H3
InChIKeyMPOFCUCKHVAXEE-UHFFFAOYSA-N
XLogP-0.08
TPSA107.17 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-3-[3-[2-(dimethylamino)ethylamino]propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 8-cyclopentyl-3-[3-[2-(dimethylamino)ethylamino]propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 67307574) is 8-cyclopentyl-3-[3-[2-(dimethylamino)ethylamino]propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 8-cyclopentyl-3-[3-[2-(dimethylamino)ethylamino]propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 8-cyclopentyl-3-[3-[2-(dimethylamino)ethylamino]propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is CN(C)CCNCCCOc1nnc2c(n1)c(=O)n(C)c(=O)n2C1CCCC1.
What is the InChIKey of 8-cyclopentyl-3-[3-[2-(dimethylamino)ethylamino]propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is MPOFCUCKHVAXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7O3/c1-23(2)11-10-19-9-6-12-28-17-20-14-15(21-22-17)25(13-7-4-5-8-13)18(27)24(3)16(14)26/h13,19H,4-12H2,1-3H3.
What are the key properties of 8-cyclopentyl-3-[3-[2-(dimethylamino)ethylamino]propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
8-cyclopentyl-3-[3-[2-(dimethylamino)ethylamino]propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 391.48 g/mol, XLogP of -0.08, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-3-[3-[2-(dimethylamino)ethylamino]propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 67307574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).