7H-pyrrolo[3,4-d]pyrimidine

C6H5N3 — CID 45080553

IUPAC7H-pyrrolo[3,4-d]pyrimidine
SMILESC1=NCc2ncncc21
InChIInChI=1S/C6H5N3/c1-5-2-8-4-9-6(5)3-7-1/h1-2,4H,3H2
InChIKeyOZIBMBKWHGMUQL-UHFFFAOYSA-N
MW119.13 g/mol
LogP0.41
Rot. Bonds

About 7H-pyrrolo[3,4-d]pyrimidine

7H-pyrrolo[3,4-d]pyrimidine (PubChem CID 45080553) has the molecular formula C6H5N3 and a molecular weight of 119.13 g/mol. Its IUPAC name is 7H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name7H-pyrrolo[3,4-d]pyrimidine
PubChem CID45080553
Molecular FormulaC6H5N3
Molecular Weight119.13 g/mol
Exact Mass119.05
IUPAC Name7H-pyrrolo[3,4-d]pyrimidine
SMILESC1=NCc2ncncc21
InChIInChI=1S/C6H5N3/c1-5-2-8-4-9-6(5)3-7-1/h1-2,4H,3H2
InChIKeyOZIBMBKWHGMUQL-UHFFFAOYSA-N
XLogP0.41
TPSA38.14 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 ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methylpyrimidine
CID 18922
4,5-Dimethylpyrimidine
CID 572516
5-Iodo-4-methylpyrimidine
CID 13439270
5-Methylpyrimidine-4-carbonitrile
CID 13860984
Pyrimidin-4-ylmethanamine
CID 12933348
2-Chloro-4,5-dimethylpyrimidine
CID 12581784
2-Amino-4-pyrimidinemethanamine
CID 16227936
1-(Pyrimidin-4-yl)methanamine--hydrogen chloride (1/1)
CID 42614178
5H,6H,7H-pyrrolo[3,4-d]pyrimidine dihydrochloride
CID 44182365
2-chloro-5H,6H,7H-pyrrolo(3,4-d)pyrimidine hydrochloride
CID 71302509
2-(4,5-Dimethylpyrimidin-2-yl)ethan-1-amine
CID 83479570
5,6-Bis(trifluoromethyl)pyrimidine
CID 91164711

Frequently Asked Questions

What is the IUPAC name of 7H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 7H-pyrrolo[3,4-d]pyrimidine (CID 45080553) is 7H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 7H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 7H-pyrrolo[3,4-d]pyrimidine is C1=NCc2ncncc21.
What is the InChIKey of 7H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is OZIBMBKWHGMUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3/c1-5-2-8-4-9-6(5)3-7-1/h1-2,4H,3H2.
What are the key properties of 7H-pyrrolo[3,4-d]pyrimidine?
7H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 119.13 g/mol, XLogP of 0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 45080553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).