2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C17H26N4 — CID 114741126

IUPAC2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCCc1nc(C2CC3CCC(C2)N3C)nc2c1CNC2
InChIInChI=1S/C17H26N4/c1-3-4-15-14-9-18-10-16(14)20-17(19-15)11-7-12-5-6-13(8-11)21(12)2/h11-13,18H,3-10H2,1-2H3
InChIKeyUJVVHPAQETZRNQ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.37
Rot. Bonds3

About 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114741126) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114741126
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCCc1nc(C2CC3CCC(C2)N3C)nc2c1CNC2
InChIInChI=1S/C17H26N4/c1-3-4-15-14-9-18-10-16(14)20-17(19-15)11-7-12-5-6-13(8-11)21(12)2/h11-13,18H,3-10H2,1-2H3
InChIKeyUJVVHPAQETZRNQ-UHFFFAOYSA-N
XLogP2.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-ethylcyclopentyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741165
2-methyl-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740981
6-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
CID 112681659
2-(4-methylpiperazin-1-yl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741010
4-ethyl-2-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740706
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471849
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738447
2-(1-methoxypropyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741092
2-(1-methoxybutyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741127
2-(2,2-dimethylcyclopropyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 107924851
4-chloro-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidine
CID 112680594
4-propyl-2-(propylsulfanylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741083

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114741126) is 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CCCc1nc(C2CC3CCC(C2)N3C)nc2c1CNC2.
What is the InChIKey of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is UJVVHPAQETZRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-3-4-15-14-9-18-10-16(14)20-17(19-15)11-7-12-5-6-13(8-11)21(12)2/h11-13,18H,3-10H2,1-2H3.
What are the key properties of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 286.42 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114741126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).