tert-butyl 4-(dimethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate

C13H20N4O2 — CID 59493884

IUPACtert-butyl 4-(dimethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
SMILESCN(C)c1ncnc2c1CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)17-6-9-10(7-17)14-8-15-11(9)16(4)5/h8H,6-7H2,1-5H3
InChIKeyYHRGZSXSAIQQFQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.79
Rot. Bonds1

About tert-butyl 4-(dimethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate

tert-butyl 4-(dimethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate (PubChem CID 59493884) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is tert-butyl 4-(dimethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(dimethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
PubChem CID59493884
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Nametert-butyl 4-(dimethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
SMILESCN(C)c1ncnc2c1CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)17-6-9-10(7-17)14-8-15-11(9)16(4)5/h8H,6-7H2,1-5H3
InChIKeyYHRGZSXSAIQQFQ-UHFFFAOYSA-N
XLogP1.79
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(dimethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate?
The IUPAC name of tert-butyl 4-(dimethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate (CID 59493884) is tert-butyl 4-(dimethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate.
What is the SMILES notation for tert-butyl 4-(dimethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate?
The canonical SMILES for tert-butyl 4-(dimethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate is CN(C)c1ncnc2c1CN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 4-(dimethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate?
The InChIKey is YHRGZSXSAIQQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)17-6-9-10(7-17)14-8-15-11(9)16(4)5/h8H,6-7H2,1-5H3.
What are the key properties of tert-butyl 4-(dimethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate?
tert-butyl 4-(dimethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(dimethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 59493884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).