tert-butyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate

C15H22N4O3 — CID 119106458

IUPACtert-butyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C15H22N4O3/c1-15(2,3)22-14(20)19-9-11-8-16-13(17-12(11)10-19)18-4-6-21-7-5-18/h8H,4-7,9-10H2,1-3H3
InChIKeyOHMNKVABTARJPL-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.56
Rot. Bonds1

About tert-butyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate

tert-butyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate (PubChem CID 119106458) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is tert-butyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
PubChem CID119106458
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Nametert-butyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C15H22N4O3/c1-15(2,3)22-14(20)19-9-11-8-16-13(17-12(11)10-19)18-4-6-21-7-5-18/h8H,4-7,9-10H2,1-3H3
InChIKeyOHMNKVABTARJPL-UHFFFAOYSA-N
XLogP1.56
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-tert-butyl 2-methyl 5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,6-dicarboxylate
CID 18442820
Tert-butyl 2-(methylthio)-5H-pyrrolo[3,4-D]pyrimidine-6(7H)-carboxylate
CID 18442822
tert-butyl 2-chloro-5H,6H,7H-pyrrolo(3,4-d)pyrimidine-6-carboxylate
CID 66570699
2-tert-butyl-6-(2-methoxy-2-methylpropanoyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56739967
2-ethyl-6-(methoxyacetyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56750850
4,5-Dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 75436396
potassium 6-((tert-butoxy)carbonyl)-5H,6H,7H-pyrrolo(3,4-d)pyrimidine-2-carboxylate
CID 165670312
2-isobutyl-6-{[1-(2-methoxyethyl)piperidin-4-yl]carbonyl}-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56750825
cyclopropyl(2-morpholino-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)methanone
CID 86264538
2-ethoxy-1-(2-morpholino-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)ethanone
CID 86264542
1-methyl-3-(2-morpholino-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridin-2(1H)-one
CID 86264561
2-methyl-6-(2-morpholino-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridazin-3(2H)-one
CID 86264596

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate?
The IUPAC name of tert-butyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate (CID 119106458) is tert-butyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate.
What is the SMILES notation for tert-butyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate?
The canonical SMILES for tert-butyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate is CC(C)(C)OC(=O)N1Cc2cnc(N3CCOCC3)nc2C1.
What is the InChIKey of tert-butyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate?
The InChIKey is OHMNKVABTARJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-15(2,3)22-14(20)19-9-11-8-16-13(17-12(11)10-19)18-4-6-21-7-5-18/h8H,4-7,9-10H2,1-3H3.
What are the key properties of tert-butyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate?
tert-butyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate has a molecular weight of 306.37 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 119106458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).