2H-pyrrolo[3,2-d]pyrimidine

C6H5N3 — CID 159889961

IUPAC2H-pyrrolo[3,2-d]pyrimidine
SMILESC1=CC2=NCN=CC2=N1
InChIInChI=1S/C6H5N3/c1-2-8-6-3-7-4-9-5(1)6/h1-3H,4H2
InChIKeyHSTPZVZTDKBSJM-UHFFFAOYSA-N
MW119.13 g/mol
LogP0.44
Rot. Bonds

About 2H-pyrrolo[3,2-d]pyrimidine

2H-pyrrolo[3,2-d]pyrimidine (PubChem CID 159889961) has the molecular formula C6H5N3 and a molecular weight of 119.13 g/mol. Its IUPAC name is 2H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2H-pyrrolo[3,2-d]pyrimidine
PubChem CID159889961
Molecular FormulaC6H5N3
Molecular Weight119.13 g/mol
Exact Mass119.05
IUPAC Name2H-pyrrolo[3,2-d]pyrimidine
SMILESC1=CC2=NCN=CC2=N1
InChIInChI=1S/C6H5N3/c1-2-8-6-3-7-4-9-5(1)6/h1-3H,4H2
InChIKeyHSTPZVZTDKBSJM-UHFFFAOYSA-N
XLogP0.44
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.13
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Iminopyridine
CID 21297554
Pyridine-3,4-diimine
CID 22022782
Pyrrolopyrimidinone
CID 23122162
Imidazo[4,5-c]pyridin-2-one
CID 53739150
Pyrrol-3-imine
CID 90911343
Iminopyrrolopyrimidine
CID 129707398
2H-Imidazo[4,5-C]pyridine
CID 20072783
7H-imidazo[4,5-c]pyridine
CID 20072867
N-methyl-3H-pyridin-4-imine
CID 20520378
N-propyl-3H-pyridin-4-imine
CID 20520388
3aH-pyrrolo[2,3-c]pyridine
CID 20778925
2H-pyrrolo[3,4-b]pyrazine
CID 21584494

Frequently Asked Questions

What is the IUPAC name of 2H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2H-pyrrolo[3,2-d]pyrimidine (CID 159889961) is 2H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2H-pyrrolo[3,2-d]pyrimidine is C1=CC2=NCN=CC2=N1.
What is the InChIKey of 2H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is HSTPZVZTDKBSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3/c1-2-8-6-3-7-4-9-5(1)6/h1-3H,4H2.
What are the key properties of 2H-pyrrolo[3,2-d]pyrimidine?
2H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 119.13 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 159889961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).