2-benzyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

C13H13N3 — CID 150185880

IUPAC2-benzyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
SMILESc1ccc(Cc2ncc3c(n2)NCC3)cc1
InChIInChI=1S/C13H13N3/c1-2-4-10(5-3-1)8-12-15-9-11-6-7-14-13(11)16-12/h1-5,9H,6-8H2,(H,14,15,16)
InChIKeyFMKOGANDCOYWDX-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.04
Rot. Bonds2

About 2-benzyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

2-benzyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine (PubChem CID 150185880) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-benzyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-benzyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
PubChem CID150185880
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name2-benzyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
SMILESc1ccc(Cc2ncc3c(n2)NCC3)cc1
InChIInChI=1S/C13H13N3/c1-2-4-10(5-3-1)8-12-15-9-11-6-7-14-13(11)16-12/h1-5,9H,6-8H2,(H,14,15,16)
InChIKeyFMKOGANDCOYWDX-UHFFFAOYSA-N
XLogP2.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-benzyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine (CID 150185880) is 2-benzyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-benzyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-benzyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine is c1ccc(Cc2ncc3c(n2)NCC3)cc1.
What is the InChIKey of 2-benzyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is FMKOGANDCOYWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-2-4-10(5-3-1)8-12-15-9-11-6-7-14-13(11)16-12/h1-5,9H,6-8H2,(H,14,15,16).
What are the key properties of 2-benzyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
2-benzyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 211.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 150185880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).