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

C16H18N4 — CID 114739705

IUPAC4-cyclopropyl-2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCc1cccnc1-c1nc2c(c(C3CC3)n1)CNC2
InChIInChI=1S/C16H18N4/c1-2-10-4-3-7-18-15(10)16-19-13-9-17-8-12(13)14(20-16)11-5-6-11/h3-4,7,11,17H,2,5-6,8-9H2,1H3
InChIKeyXGRSCSVQOVDTOS-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.58
Rot. Bonds3

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

4-cyclopropyl-2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114739705) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-cyclopropyl-2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114739705
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name4-cyclopropyl-2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCc1cccnc1-c1nc2c(c(C3CC3)n1)CNC2
InChIInChI=1S/C16H18N4/c1-2-10-4-3-7-18-15(10)16-19-13-9-17-8-12(13)14(20-16)11-5-6-11/h3-4,7,11,17H,2,5-6,8-9H2,1H3
InChIKeyXGRSCSVQOVDTOS-UHFFFAOYSA-N
XLogP2.58
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-cyclopropyl-2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114739705) is 4-cyclopropyl-2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-cyclopropyl-2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CCc1cccnc1-c1nc2c(c(C3CC3)n1)CNC2.
What is the InChIKey of 4-cyclopropyl-2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is XGRSCSVQOVDTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-10-4-3-7-18-15(10)16-19-13-9-17-8-12(13)14(20-16)11-5-6-11/h3-4,7,11,17H,2,5-6,8-9H2,1H3.
What are the key properties of 4-cyclopropyl-2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-cyclopropyl-2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 266.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114739705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).