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

C16H17N3 — CID 114739621

IUPAC4-cyclopropyl-2-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCc1cccc(-c2nc3c(c(C4CC4)n2)CNC3)c1
InChIInChI=1S/C16H17N3/c1-10-3-2-4-12(7-10)16-18-14-9-17-8-13(14)15(19-16)11-5-6-11/h2-4,7,11,17H,5-6,8-9H2,1H3
InChIKeyJMJDHWYNBKJBIG-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.93
Rot. Bonds2

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

4-cyclopropyl-2-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114739621) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-cyclopropyl-2-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114739621
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name4-cyclopropyl-2-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCc1cccc(-c2nc3c(c(C4CC4)n2)CNC3)c1
InChIInChI=1S/C16H17N3/c1-10-3-2-4-12(7-10)16-18-14-9-17-8-13(14)15(19-16)11-5-6-11/h2-4,7,11,17H,5-6,8-9H2,1H3
InChIKeyJMJDHWYNBKJBIG-UHFFFAOYSA-N
XLogP2.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-cyclopropyl-2-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114739621) is 4-cyclopropyl-2-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-cyclopropyl-2-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is Cc1cccc(-c2nc3c(c(C4CC4)n2)CNC3)c1.
What is the InChIKey of 4-cyclopropyl-2-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is JMJDHWYNBKJBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-10-3-2-4-12(7-10)16-18-14-9-17-8-13(14)15(19-16)11-5-6-11/h2-4,7,11,17H,5-6,8-9H2,1H3.
What are the key properties of 4-cyclopropyl-2-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-cyclopropyl-2-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 251.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114739621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).