3-(tert-butylamino)-5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8-dione

C11H16N6O2 — CID 23735884

IUPAC3-(tert-butylamino)-5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8-dione
SMILESCn1c(=O)c2nnc(NC(C)(C)C)nc2n(C)c1=O
InChIInChI=1S/C11H16N6O2/c1-11(2,3)13-9-12-7-6(14-15-9)8(18)17(5)10(19)16(7)4/h1-5H3,(H,12,13,15)
InChIKeyMKQSIFXQJIKHBD-UHFFFAOYSA-N
MW264.29 g/mol
LogP-0.37
Rot. Bonds1

About 3-(tert-butylamino)-5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8-dione

3-(tert-butylamino)-5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8-dione (PubChem CID 23735884) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-(tert-butylamino)-5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8-dione.

Molecular Properties

Compound Name3-(tert-butylamino)-5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8-dione
PubChem CID23735884
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name3-(tert-butylamino)-5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8-dione
SMILESCn1c(=O)c2nnc(NC(C)(C)C)nc2n(C)c1=O
InChIInChI=1S/C11H16N6O2/c1-11(2,3)13-9-12-7-6(14-15-9)8(18)17(5)10(19)16(7)4/h1-5H3,(H,12,13,15)
InChIKeyMKQSIFXQJIKHBD-UHFFFAOYSA-N
XLogP-0.37
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-aminoanilino)-5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8-dione
CID 6416712
6,8-dimethyl-3-(pyridin-3-ylmethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 16761612
7-methoxy-1,3,6-trimethylpteridine-2,4-dione
CID 69440037
1,3,7-trimethyl-2,4-dioxopteridine-6-carboxylic acid
CID 15359662
N-tert-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 37132946
1,3-dimethyl-7-(4-phenylphenyl)pteridine-2,4-dione
CID 71399040
1,3-dimethyl-6,7-bis[2-tri(propan-2-yl)silylethynyl]pteridine-2,4-dione
CID 15372365
1,3-dimethyl-8H-pyrimido[4,5-g]pteridine-2,4,9-trione
CID 135510405
cyclohexane-1,2,3,4,5,6-hexone;5,6-diamino-1,3-dimethylpyrimidine-2,4-dione;5,7,15,17,26,28-hexamethyl-3,5,7,10,13,15,17,20,23,26,28,30-dodecazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,3,9,11,13,19,21,23,29-nonaene-6,8,16,18,25,27-hexone;methane;octahydrate
CID 160705661
8-(2,2-dimethylpropylamino)-1,3-dimethyl-7H-purine-2,6-dione
CID 61167628
7-tert-butyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidine-5-thiolate
CID 2393534
6,8-dimethyl-3-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 14823832

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8-dione?
The IUPAC name of 3-(tert-butylamino)-5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8-dione (CID 23735884) is 3-(tert-butylamino)-5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8-dione.
What is the SMILES notation for 3-(tert-butylamino)-5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8-dione?
The canonical SMILES for 3-(tert-butylamino)-5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8-dione is Cn1c(=O)c2nnc(NC(C)(C)C)nc2n(C)c1=O.
What is the InChIKey of 3-(tert-butylamino)-5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8-dione?
The InChIKey is MKQSIFXQJIKHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-11(2,3)13-9-12-7-6(14-15-9)8(18)17(5)10(19)16(7)4/h1-5H3,(H,12,13,15).
What are the key properties of 3-(tert-butylamino)-5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8-dione?
3-(tert-butylamino)-5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8-dione has a molecular weight of 264.29 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8-dione is sourced from PubChem (CID 23735884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).