2-(1-methoxypropyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C13H21N3O — CID 114741092

IUPAC2-(1-methoxypropyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCCc1nc(C(CC)OC)nc2c1CNC2
InChIInChI=1S/C13H21N3O/c1-4-6-10-9-7-14-8-11(9)16-13(15-10)12(5-2)17-3/h12,14H,4-8H2,1-3H3
InChIKeyYSLBCJBEEBZFIX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.13
Rot. Bonds5

About 2-(1-methoxypropyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-(1-methoxypropyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114741092) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(1-methoxypropyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(1-methoxypropyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114741092
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(1-methoxypropyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCCc1nc(C(CC)OC)nc2c1CNC2
InChIInChI=1S/C13H21N3O/c1-4-6-10-9-7-14-8-11(9)16-13(15-10)12(5-2)17-3/h12,14H,4-8H2,1-3H3
InChIKeyYSLBCJBEEBZFIX-UHFFFAOYSA-N
XLogP2.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methoxybutyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741127
2-(1-methoxy-2-methylpropyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739405
2-methyl-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740981
5-bromo-2-(1-methoxypropyl)-6-propylpyrimidin-4-amine
CID 116729384
2-(2-methoxypropan-2-yl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741173
2-(1-methoxybutyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114743065
4-ethyl-2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740817
2-(1-methylsulfonylethyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742746
2-(1-methylsulfonylethyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739562
2-(1-ethoxyethyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740935
2-(propoxymethyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741014
4-ethyl-2-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740706

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(1-methoxypropyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114741092) is 2-(1-methoxypropyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(1-methoxypropyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(1-methoxypropyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CCCc1nc(C(CC)OC)nc2c1CNC2.
What is the InChIKey of 2-(1-methoxypropyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is YSLBCJBEEBZFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-6-10-9-7-14-8-11(9)16-13(15-10)12(5-2)17-3/h12,14H,4-8H2,1-3H3.
What are the key properties of 2-(1-methoxypropyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(1-methoxypropyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 235.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114741092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).