4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidine

C6H7N3 — CID 45080239

IUPAC4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidine
SMILESC1=NCc2[nH]ccc2N1
InChIInChI=1S/C6H7N3/c1-2-8-6-3-7-4-9-5(1)6/h1-2,4,8H,3H2,(H,7,9)
InChIKeyKECHYONWBSYJMB-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.97
Rot. Bonds

About 4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidine

4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidine (PubChem CID 45080239) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidine
PubChem CID45080239
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidine
SMILESC1=NCc2[nH]ccc2N1
InChIInChI=1S/C6H7N3/c1-2-8-6-3-7-4-9-5(1)6/h1-2,4,8H,3H2,(H,7,9)
InChIKeyKECHYONWBSYJMB-UHFFFAOYSA-N
XLogP0.97
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidine (CID 45080239) is 4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidine is C1=NCc2[nH]ccc2N1.
What is the InChIKey of 4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is KECHYONWBSYJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-2-8-6-3-7-4-9-5(1)6/h1-2,4,8H,3H2,(H,7,9).
What are the key properties of 4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidine?
4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 121.14 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 45080239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).