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

C14H21N3O — CID 114741250

IUPAC2-(oxan-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCC(C)c1nc(C2CCOCC2)nc2c1CNC2
InChIInChI=1S/C14H21N3O/c1-9(2)13-11-7-15-8-12(11)16-14(17-13)10-3-5-18-6-4-10/h9-10,15H,3-8H2,1-2H3
InChIKeyLTSGFKAPUSHDSG-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.10
Rot. Bonds2

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

2-(oxan-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114741250) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(oxan-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(oxan-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114741250
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(oxan-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCC(C)c1nc(C2CCOCC2)nc2c1CNC2
InChIInChI=1S/C14H21N3O/c1-9(2)13-11-7-15-8-12(11)16-14(17-13)10-3-5-18-6-4-10/h9-10,15H,3-8H2,1-2H3
InChIKeyLTSGFKAPUSHDSG-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cycloheptyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741398
4-chloro-2-(oxan-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 115043384
ethane;2-methyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 176927423
4-cyclopropyl-2-(4-propan-2-ylcyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739633
2-(3-ethylcyclopentyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742917
2-(2-methylpropyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741386
4-methoxy-2-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 115040233
4-methyl-2-(4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)morpholine
CID 114739024
2-butan-2-yl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741302
2-(2-methyloxolan-2-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741290
2-cyclobutyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 105474416
2-cyclopentyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 105493384

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(oxan-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114741250) is 2-(oxan-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(oxan-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(oxan-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CC(C)c1nc(C2CCOCC2)nc2c1CNC2.
What is the InChIKey of 2-(oxan-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is LTSGFKAPUSHDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9(2)13-11-7-15-8-12(11)16-14(17-13)10-3-5-18-6-4-10/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 2-(oxan-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(oxan-4-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 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114741250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).