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

C11H17N3 — CID 114740210

IUPAC4-methyl-2-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCc1nc(CC(C)C)nc2c1CNC2
InChIInChI=1S/C11H17N3/c1-7(2)4-11-13-8(3)9-5-12-6-10(9)14-11/h7,12H,4-6H2,1-3H3
InChIKeyCEULTTSPSCLRGF-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.59
Rot. Bonds2

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

4-methyl-2-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114740210) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114740210
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name4-methyl-2-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCc1nc(CC(C)C)nc2c1CNC2
InChIInChI=1S/C11H17N3/c1-7(2)4-11-13-8(3)9-5-12-6-10(9)14-11/h7,12H,4-6H2,1-3H3
InChIKeyCEULTTSPSCLRGF-UHFFFAOYSA-N
XLogP1.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-methyl-2-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114740210) is 4-methyl-2-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-methyl-2-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-methyl-2-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is Cc1nc(CC(C)C)nc2c1CNC2.
What is the InChIKey of 4-methyl-2-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is CEULTTSPSCLRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-7(2)4-11-13-8(3)9-5-12-6-10(9)14-11/h7,12H,4-6H2,1-3H3.
What are the key properties of 4-methyl-2-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-methyl-2-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 191.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114740210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).