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

C11H17N3 — CID 83847206

IUPAC2-methyl-4-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCc1nc2c(c(CC(C)C)n1)CNC2
InChIInChI=1S/C11H17N3/c1-7(2)4-10-9-5-12-6-11(9)14-8(3)13-10/h7,12H,4-6H2,1-3H3
InChIKeyLHAFVSOZRXIQAZ-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.59
Rot. Bonds2

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

2-methyl-4-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 83847206) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-methyl-4-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID83847206
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-methyl-4-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCc1nc2c(c(CC(C)C)n1)CNC2
InChIInChI=1S/C11H17N3/c1-7(2)4-10-9-5-12-6-11(9)14-8(3)13-10/h7,12H,4-6H2,1-3H3
InChIKeyLHAFVSOZRXIQAZ-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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Related Compounds

2-methyl-4-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 83848319
4-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 83845774
2-methyl-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740981
4-methyl-2-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740210
ethane;2-methyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 176927423
2-(2-methylpropyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741386
4-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;methane
CID 155687907
3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole
CID 83845862
2-methyl-4-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 83850042
2-(2-methoxypropyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740071
4-(azetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;ethane
CID 177061372
2-(1-ethoxyethyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740935

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-methyl-4-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 83847206) is 2-methyl-4-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-methyl-4-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is Cc1nc2c(c(CC(C)C)n1)CNC2.
What is the InChIKey of 2-methyl-4-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is LHAFVSOZRXIQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-7(2)4-10-9-5-12-6-11(9)14-8(3)13-10/h7,12H,4-6H2,1-3H3.
What are the key properties of 2-methyl-4-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-methyl-4-(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 2-methyl-4-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 83847206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).