4-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C9H13N3 — CID 83845774

IUPAC4-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCc1nc(C)nc2c1CNC2
InChIInChI=1S/C9H13N3/c1-3-8-7-4-10-5-9(7)12-6(2)11-8/h10H,3-5H2,1-2H3
InChIKeyVVTDANYULTYUKV-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.95
Rot. Bonds1

About 4-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

4-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 83845774) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID83845774
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCc1nc(C)nc2c1CNC2
InChIInChI=1S/C9H13N3/c1-3-8-7-4-10-5-9(7)12-6(2)11-8/h10H,3-5H2,1-2H3
InChIKeyVVTDANYULTYUKV-UHFFFAOYSA-N
XLogP0.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740981
2-methyl-4-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 83847206
4-ethyl-2-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740706
4-ethyl-2-(1-methylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740885
2-(1-ethoxyethyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740935
2-(3,5-dichlorophenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 107918389
4-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;methane
CID 155687907
2-(3,5-dimethyl-2-pyridinyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740752
4-ethyl-2-(1H-pyrrol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740855
ethane;2-methyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 176927423
2-methyl-4-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 83848319
2-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoline
CID 114740772

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 83845774) is 4-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CCc1nc(C)nc2c1CNC2.
What is the InChIKey of 4-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is VVTDANYULTYUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-3-8-7-4-10-5-9(7)12-6(2)11-8/h10H,3-5H2,1-2H3.
What are the key properties of 4-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 163.22 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 83845774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).