6-methyl-3-(2-piperidin-1-ylethylamino)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione

C19H24N8O2 — CID 67307821

IUPAC6-methyl-3-(2-piperidin-1-ylethylamino)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1c(=O)c2nc(NCCN3CCCCC3)nnc2n(Cc2cccnc2)c1=O
InChIInChI=1S/C19H24N8O2/c1-25-17(28)15-16(27(19(25)29)13-14-6-5-7-20-12-14)23-24-18(22-15)21-8-11-26-9-3-2-4-10-26/h5-7,12H,2-4,8-11,13H2,1H3,(H,21,22,24)
InChIKeyUJDBCNNEGIWQQJ-UHFFFAOYSA-N
MW396.46 g/mol
LogP0.23
Rot. Bonds6

About 6-methyl-3-(2-piperidin-1-ylethylamino)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione

6-methyl-3-(2-piperidin-1-ylethylamino)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 67307821) has the molecular formula C19H24N8O2 and a molecular weight of 396.46 g/mol. Its IUPAC name is 6-methyl-3-(2-piperidin-1-ylethylamino)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name6-methyl-3-(2-piperidin-1-ylethylamino)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID67307821
Molecular FormulaC19H24N8O2
Molecular Weight396.46 g/mol
Exact Mass396.20
IUPAC Name6-methyl-3-(2-piperidin-1-ylethylamino)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1c(=O)c2nc(NCCN3CCCCC3)nnc2n(Cc2cccnc2)c1=O
InChIInChI=1S/C19H24N8O2/c1-25-17(28)15-16(27(19(25)29)13-14-6-5-7-20-12-14)23-24-18(22-15)21-8-11-26-9-3-2-4-10-26/h5-7,12H,2-4,8-11,13H2,1H3,(H,21,22,24)
InChIKeyUJDBCNNEGIWQQJ-UHFFFAOYSA-N
XLogP0.23
TPSA110.83 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

6-methyl-8-(pyridin-3-ylmethyl)-3-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67307946
6,8-dimethyl-3-(pyridin-3-ylmethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 16761612
6-methyl-3-(2-morpholin-4-ylethoxy)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67307437
3-[4-[2-(diethylamino)ethylamino]phenyl]-6-methyl-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67306697
3-(3-aminopropoxy)-6-methyl-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67307263
3-[4-[2-(2-hydroxyethylamino)ethoxy]phenyl]-6-methyl-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67307797
7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(2-piperidin-1-ylethylamino)purine-2,6-dione
CID 17407784
8-(cyclopropylmethylsulfonyl)-1,7-dimethyl-3-(pyridin-3-ylmethyl)purine-2,6-dione
CID 146283013
N-(2-pyridin-3-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 54961065
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
4-benzyl-2-(3-piperidin-1-ylpropylamino)pyrido[3,4-b]pyrazin-3-one
CID 87054677
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-piperidin-1-ylethylamino)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 6-methyl-3-(2-piperidin-1-ylethylamino)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 67307821) is 6-methyl-3-(2-piperidin-1-ylethylamino)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 6-methyl-3-(2-piperidin-1-ylethylamino)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 6-methyl-3-(2-piperidin-1-ylethylamino)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione is Cn1c(=O)c2nc(NCCN3CCCCC3)nnc2n(Cc2cccnc2)c1=O.
What is the InChIKey of 6-methyl-3-(2-piperidin-1-ylethylamino)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is UJDBCNNEGIWQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O2/c1-25-17(28)15-16(27(19(25)29)13-14-6-5-7-20-12-14)23-24-18(22-15)21-8-11-26-9-3-2-4-10-26/h5-7,12H,2-4,8-11,13H2,1H3,(H,21,22,24).
What are the key properties of 6-methyl-3-(2-piperidin-1-ylethylamino)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
6-methyl-3-(2-piperidin-1-ylethylamino)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 396.46 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-piperidin-1-ylethylamino)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 67307821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).