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

C12H16N4O3 — CID 70299646

IUPACmethyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
SMILESCOC(=O)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C12H16N4O3/c1-18-12(17)16-7-9-6-13-11(14-10(9)8-16)15-2-4-19-5-3-15/h6H,2-5,7-8H2,1H3
InChIKeyWTJZYHBRBIYJQQ-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.40
Rot. Bonds1

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

methyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate (PubChem CID 70299646) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
PubChem CID70299646
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Namemethyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
SMILESCOC(=O)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C12H16N4O3/c1-18-12(17)16-7-9-6-13-11(14-10(9)8-16)15-2-4-19-5-3-15/h6H,2-5,7-8H2,1H3
InChIKeyWTJZYHBRBIYJQQ-UHFFFAOYSA-N
XLogP0.40
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate (CID 70299646) is methyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate is COC(=O)N1Cc2cnc(N3CCOCC3)nc2C1.
What is the InChIKey of methyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate?
The InChIKey is WTJZYHBRBIYJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-18-12(17)16-7-9-6-13-11(14-10(9)8-16)15-2-4-19-5-3-15/h6H,2-5,7-8H2,1H3.
What are the key properties of methyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate?
methyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 70299646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).