3-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]-6-methyl-1-propan-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

C24H33N7O3 — CID 67307901

IUPAC3-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]-6-methyl-1-propan-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCC(C)n1nc(-c2ccc(OCCN3CCC(N(C)C)CC3)cc2)nc2c(=O)n(C)c(=O)nc1-2
InChIInChI=1S/C24H33N7O3/c1-16(2)31-22-20(23(32)29(5)24(33)26-22)25-21(27-31)17-6-8-19(9-7-17)34-15-14-30-12-10-18(11-13-30)28(3)4/h6-9,16,18H,10-15H2,1-5H3
InChIKeyFGKPUJDUGQAOSI-UHFFFAOYSA-N
MW467.57 g/mol
LogP1.49
Rot. Bonds7

About 3-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]-6-methyl-1-propan-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

3-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]-6-methyl-1-propan-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 67307901) has the molecular formula C24H33N7O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is 3-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]-6-methyl-1-propan-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name3-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]-6-methyl-1-propan-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID67307901
Molecular FormulaC24H33N7O3
Molecular Weight467.57 g/mol
Exact Mass467.26
IUPAC Name3-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]-6-methyl-1-propan-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCC(C)n1nc(-c2ccc(OCCN3CCC(N(C)C)CC3)cc2)nc2c(=O)n(C)c(=O)nc1-2
InChIInChI=1S/C24H33N7O3/c1-16(2)31-22-20(23(32)29(5)24(33)26-22)25-21(27-31)17-6-8-19(9-7-17)34-15-14-30-12-10-18(11-13-30)28(3)4/h6-9,16,18H,10-15H2,1-5H3
InChIKeyFGKPUJDUGQAOSI-UHFFFAOYSA-N
XLogP1.49
TPSA98.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]-6-methyl-1-propan-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 3-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]-6-methyl-1-propan-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 67307901) is 3-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]-6-methyl-1-propan-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 3-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]-6-methyl-1-propan-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 3-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]-6-methyl-1-propan-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is CC(C)n1nc(-c2ccc(OCCN3CCC(N(C)C)CC3)cc2)nc2c(=O)n(C)c(=O)nc1-2.
What is the InChIKey of 3-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]-6-methyl-1-propan-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is FGKPUJDUGQAOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O3/c1-16(2)31-22-20(23(32)29(5)24(33)26-22)25-21(27-31)17-6-8-19(9-7-17)34-15-14-30-12-10-18(11-13-30)28(3)4/h6-9,16,18H,10-15H2,1-5H3.
What are the key properties of 3-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]-6-methyl-1-propan-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
3-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]-6-methyl-1-propan-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 467.57 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]-6-methyl-1-propan-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 67307901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).