2,2-dimethyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one

C15H22N4O2 — CID 86264541

IUPAC2,2-dimethyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C15H22N4O2/c1-15(2,3)13(20)19-9-11-8-16-14(17-12(11)10-19)18-4-6-21-7-5-18/h8H,4-7,9-10H2,1-3H3
InChIKeyVZIRSIOYRMEGHM-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.20
Rot. Bonds1

About 2,2-dimethyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one

2,2-dimethyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one (PubChem CID 86264541) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one
PubChem CID86264541
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2,2-dimethyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C15H22N4O2/c1-15(2,3)13(20)19-9-11-8-16-14(17-12(11)10-19)18-4-6-21-7-5-18/h8H,4-7,9-10H2,1-3H3
InChIKeyVZIRSIOYRMEGHM-UHFFFAOYSA-N
XLogP1.20
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one (CID 86264541) is 2,2-dimethyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one is CC(C)(C)C(=O)N1Cc2cnc(N3CCOCC3)nc2C1.
What is the InChIKey of 2,2-dimethyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one?
The InChIKey is VZIRSIOYRMEGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-15(2,3)13(20)19-9-11-8-16-14(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 2,2-dimethyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one?
2,2-dimethyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one has a molecular weight of 290.37 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one is sourced from PubChem (CID 86264541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).