2-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C16H21N3 — CID 114739672

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESC1NCc2c1nc(C1CC3CCC1C3)nc2C1CC1
InChIInChI=1S/C16H21N3/c1-2-11-5-9(1)6-12(11)16-18-14-8-17-7-13(14)15(19-16)10-3-4-10/h9-12,17H,1-8H2
InChIKeyMKVXKIGJDHMXSY-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.86
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114739672) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114739672
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESC1NCc2c1nc(C1CC3CCC1C3)nc2C1CC1
InChIInChI=1S/C16H21N3/c1-2-11-5-9(1)6-12(11)16-18-14-8-17-7-13(14)15(19-16)10-3-4-10/h9-12,17H,1-8H2
InChIKeyMKVXKIGJDHMXSY-UHFFFAOYSA-N
XLogP2.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114739672) is 2-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is C1NCc2c1nc(C1CC3CCC1C3)nc2C1CC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is MKVXKIGJDHMXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-11-5-9(1)6-12(11)16-18-14-8-17-7-13(14)15(19-16)10-3-4-10/h9-12,17H,1-8H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 255.36 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114739672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).