4-cyclopropyl-2-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C18H19N3 — CID 114739578

IUPAC4-cyclopropyl-2-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESc1ccc(C2(c3nc4c(c(C5CC5)n3)CNC4)CC2)cc1
InChIInChI=1S/C18H19N3/c1-2-4-13(5-3-1)18(8-9-18)17-20-15-11-19-10-14(15)16(21-17)12-6-7-12/h1-5,12,19H,6-11H2
InChIKeyKLZDVEPWSUGDBN-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.04
Rot. Bonds3

About 4-cyclopropyl-2-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

4-cyclopropyl-2-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114739578) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-cyclopropyl-2-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114739578
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name4-cyclopropyl-2-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESc1ccc(C2(c3nc4c(c(C5CC5)n3)CNC4)CC2)cc1
InChIInChI=1S/C18H19N3/c1-2-4-13(5-3-1)18(8-9-18)17-20-15-11-19-10-14(15)16(21-17)12-6-7-12/h1-5,12,19H,6-11H2
InChIKeyKLZDVEPWSUGDBN-UHFFFAOYSA-N
XLogP3.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-cyclopropyl-2-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114739578) is 4-cyclopropyl-2-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-cyclopropyl-2-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is c1ccc(C2(c3nc4c(c(C5CC5)n3)CNC4)CC2)cc1.
What is the InChIKey of 4-cyclopropyl-2-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is KLZDVEPWSUGDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-4-13(5-3-1)18(8-9-18)17-20-15-11-19-10-14(15)16(21-17)12-6-7-12/h1-5,12,19H,6-11H2.
What are the key properties of 4-cyclopropyl-2-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-cyclopropyl-2-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 277.37 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114739578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).