azane;ditert-butyl 6-methylpyrimidine-2,4-dicarboxylate

C15H25N3O4 — CID 174755008

IUPACazane;ditert-butyl 6-methylpyrimidine-2,4-dicarboxylate
SMILESCc1cc(C(=O)OC(C)(C)C)nc(C(=O)OC(C)(C)C)n1.N
InChIInChI=1S/C15H22N2O4.H3N/c1-9-8-10(12(18)20-14(2,3)4)17-11(16-9)13(19)21-15(5,6)7;/h8H,1-7H3;1H3
InChIKeyZTOXKVIDQLZDNU-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.86
Rot. Bonds2

About azane;ditert-butyl 6-methylpyrimidine-2,4-dicarboxylate

azane;ditert-butyl 6-methylpyrimidine-2,4-dicarboxylate (PubChem CID 174755008) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is azane;ditert-butyl 6-methylpyrimidine-2,4-dicarboxylate.

Molecular Properties

Compound Nameazane;ditert-butyl 6-methylpyrimidine-2,4-dicarboxylate
PubChem CID174755008
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nameazane;ditert-butyl 6-methylpyrimidine-2,4-dicarboxylate
SMILESCc1cc(C(=O)OC(C)(C)C)nc(C(=O)OC(C)(C)C)n1.N
InChIInChI=1S/C15H22N2O4.H3N/c1-9-8-10(12(18)20-14(2,3)4)17-11(16-9)13(19)21-15(5,6)7;/h8H,1-7H3;1H3
InChIKeyZTOXKVIDQLZDNU-UHFFFAOYSA-N
XLogP2.86
TPSA113.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 6-oxo-2-(trifluoromethyl)-1,3-oxazine-4-carboxylate
CID 134892147
tert-butyl 2-methoxy-6-methylpyridine-4-carboxylate
CID 133059070
ditert-butyl 4-pyridin-4-ylpyridine-2,6-dicarboxylate
CID 130276187
tert-butyl 5-bromo-4-methylpyridine-2-carboxylate
CID 131612137
tert-butyl 3,5-dibromo-4-methylbenzoate
CID 118703544
tert-butyl 6-chloropyridine-2-carboxylate
CID 53217451
tert-butyl 1,5-dimethylpyrazole-3-carboxylate
CID 130485579
ditert-butyl 3-bromopyridine-2,6-dicarboxylate
CID 134117117
4-O-tert-butyl 2-O-methyl 6-(methylcarbamoyl)pyridine-2,4-dicarboxylate
CID 131997252
tert-butyl 3-(4,6-dimethylpyrimidin-2-yl)-1,2-oxazole-5-carboxylate
CID 177033862
tert-butyl 4-chloro-5-iodo-6-methylpyrimidine-2-carboxylate
CID 142395216
ditert-butyl 2,5-dimethylbenzene-1,4-dicarboxylate
CID 4229880

Frequently Asked Questions

What is the IUPAC name of azane;ditert-butyl 6-methylpyrimidine-2,4-dicarboxylate?
The IUPAC name of azane;ditert-butyl 6-methylpyrimidine-2,4-dicarboxylate (CID 174755008) is azane;ditert-butyl 6-methylpyrimidine-2,4-dicarboxylate.
What is the SMILES notation for azane;ditert-butyl 6-methylpyrimidine-2,4-dicarboxylate?
The canonical SMILES for azane;ditert-butyl 6-methylpyrimidine-2,4-dicarboxylate is Cc1cc(C(=O)OC(C)(C)C)nc(C(=O)OC(C)(C)C)n1.N.
What is the InChIKey of azane;ditert-butyl 6-methylpyrimidine-2,4-dicarboxylate?
The InChIKey is ZTOXKVIDQLZDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4.H3N/c1-9-8-10(12(18)20-14(2,3)4)17-11(16-9)13(19)21-15(5,6)7;/h8H,1-7H3;1H3.
What are the key properties of azane;ditert-butyl 6-methylpyrimidine-2,4-dicarboxylate?
azane;ditert-butyl 6-methylpyrimidine-2,4-dicarboxylate has a molecular weight of 311.38 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ditert-butyl 6-methylpyrimidine-2,4-dicarboxylate is sourced from PubChem (CID 174755008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).