2-(2-methyloxolan-2-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C14H21N3O — CID 114741290

IUPAC2-(2-methyloxolan-2-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCC(C)c1nc(C2(C)CCCO2)nc2c1CNC2
InChIInChI=1S/C14H21N3O/c1-9(2)12-10-7-15-8-11(10)16-13(17-12)14(3)5-4-6-18-14/h9,15H,4-8H2,1-3H3
InChIKeyKUXCGLNIIMKNPP-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.23
Rot. Bonds2

About 2-(2-methyloxolan-2-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-(2-methyloxolan-2-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114741290) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2-methyloxolan-2-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(2-methyloxolan-2-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114741290
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(2-methyloxolan-2-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCC(C)c1nc(C2(C)CCCO2)nc2c1CNC2
InChIInChI=1S/C14H21N3O/c1-9(2)12-10-7-15-8-11(10)16-13(17-12)14(3)5-4-6-18-14/h9,15H,4-8H2,1-3H3
InChIKeyKUXCGLNIIMKNPP-UHFFFAOYSA-N
XLogP2.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxolan-2-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(2-methyloxolan-2-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114741290) is 2-(2-methyloxolan-2-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(2-methyloxolan-2-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(2-methyloxolan-2-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CC(C)c1nc(C2(C)CCCO2)nc2c1CNC2.
What is the InChIKey of 2-(2-methyloxolan-2-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is KUXCGLNIIMKNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9(2)12-10-7-15-8-11(10)16-13(17-12)14(3)5-4-6-18-14/h9,15H,4-8H2,1-3H3.
What are the key properties of 2-(2-methyloxolan-2-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(2-methyloxolan-2-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 247.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxolan-2-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114741290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).