tert-butyl (8R)-8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate

C13H19N3O3 — CID 166067679

IUPACtert-butyl (8R)-8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate
SMILESC[C@@H]1c2nc[nH]c(=O)c2CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H19N3O3/c1-8-10-9(11(17)15-7-14-10)5-6-16(8)12(18)19-13(2,3)4/h7-8H,5-6H2,1-4H3,(H,14,15,17)/t8-/m1/s1
InChIKeyJNDOTOWOJLQOKB-MRVPVSSYSA-N
MW265.31 g/mol
LogP1.62
Rot. Bonds

About tert-butyl (8R)-8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate

tert-butyl (8R)-8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate (PubChem CID 166067679) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is tert-butyl (8R)-8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl (8R)-8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate
PubChem CID166067679
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nametert-butyl (8R)-8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate
SMILESC[C@@H]1c2nc[nH]c(=O)c2CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H19N3O3/c1-8-10-9(11(17)15-7-14-10)5-6-16(8)12(18)19-13(2,3)4/h7-8H,5-6H2,1-4H3,(H,14,15,17)/t8-/m1/s1
InChIKeyJNDOTOWOJLQOKB-MRVPVSSYSA-N
XLogP1.62
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (8R)-8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-acetyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 136380778
tert-butyl 4-hydroxy-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 135741723
tert-butyl 4-hydroxy-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine-7-carboxylate
CID 135965403
tert-butyl 4-hydroxy-2-(methylthio)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate
CID 137252000
7-[(2S)-2,3,3-trimethylbutanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 164640445
3-methyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 75480674
Tert-butyl 4-hydroxy-2-(trifluoromethyl)-5,6-dihydropyrido[3,4-D]pyrimidine-7(8H)-carboxylate
CID 135741669
tert-butyl N-[2-[4-oxo-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl]ethyl]carbamate
CID 135865886
tert-butyl N-[1-[4-oxo-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl]propan-2-yl]carbamate
CID 135920212
3-Tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 83883373
T-Butyl 4-hydroxy-7,8-dihydropyrido[4,3-D]pyrimidine-6(5H)-carboxylate
CID 135741713
tert-butyl 2-[(2,2-dimethylpropanoyl)amino]-4-hydroxy-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate
CID 135950227

Frequently Asked Questions

What is the IUPAC name of tert-butyl (8R)-8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate?
The IUPAC name of tert-butyl (8R)-8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate (CID 166067679) is tert-butyl (8R)-8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate.
What is the SMILES notation for tert-butyl (8R)-8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate?
The canonical SMILES for tert-butyl (8R)-8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate is C[C@@H]1c2nc[nH]c(=O)c2CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (8R)-8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate?
The InChIKey is JNDOTOWOJLQOKB-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-10-9(11(17)15-7-14-10)5-6-16(8)12(18)19-13(2,3)4/h7-8H,5-6H2,1-4H3,(H,14,15,17)/t8-/m1/s1.
What are the key properties of tert-butyl (8R)-8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate?
tert-butyl (8R)-8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (8R)-8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate is sourced from PubChem (CID 166067679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).