7-benzyl-1,4-dihydropyrrolo[2,3-d]pyrimidine

C13H13N3 — CID 152538187

IUPAC7-benzyl-1,4-dihydropyrrolo[2,3-d]pyrimidine
SMILESC1=NCc2ccn(Cc3ccccc3)c2N1
InChIInChI=1S/C13H13N3/c1-2-4-11(5-3-1)9-16-7-6-12-8-14-10-15-13(12)16/h1-7,10H,8-9H2,(H,14,15)
InChIKeyYKYZRJJSSHZSEX-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.49
Rot. Bonds2

About 7-benzyl-1,4-dihydropyrrolo[2,3-d]pyrimidine

7-benzyl-1,4-dihydropyrrolo[2,3-d]pyrimidine (PubChem CID 152538187) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 7-benzyl-1,4-dihydropyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-benzyl-1,4-dihydropyrrolo[2,3-d]pyrimidine
PubChem CID152538187
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name7-benzyl-1,4-dihydropyrrolo[2,3-d]pyrimidine
SMILESC1=NCc2ccn(Cc3ccccc3)c2N1
InChIInChI=1S/C13H13N3/c1-2-4-11(5-3-1)9-16-7-6-12-8-14-10-15-13(12)16/h1-7,10H,8-9H2,(H,14,15)
InChIKeyYKYZRJJSSHZSEX-UHFFFAOYSA-N
XLogP2.49
TPSA29.32 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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1,4-dihydropyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-benzyl-1,4-dihydropyrrolo[2,3-d]pyrimidine (CID 152538187) is 7-benzyl-1,4-dihydropyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-benzyl-1,4-dihydropyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-benzyl-1,4-dihydropyrrolo[2,3-d]pyrimidine is C1=NCc2ccn(Cc3ccccc3)c2N1.
What is the InChIKey of 7-benzyl-1,4-dihydropyrrolo[2,3-d]pyrimidine?
The InChIKey is YKYZRJJSSHZSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-2-4-11(5-3-1)9-16-7-6-12-8-14-10-15-13(12)16/h1-7,10H,8-9H2,(H,14,15).
What are the key properties of 7-benzyl-1,4-dihydropyrrolo[2,3-d]pyrimidine?
7-benzyl-1,4-dihydropyrrolo[2,3-d]pyrimidine has a molecular weight of 211.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1,4-dihydropyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 152538187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).