2,6-dimethyl-4-nitroso-5,7-dihydropyrrolo[3,4-d]pyrimidine

C8H10N4O — CID 134410807

IUPAC2,6-dimethyl-4-nitroso-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCc1nc2c(c(N=O)n1)CN(C)C2
InChIInChI=1S/C8H10N4O/c1-5-9-7-4-12(2)3-6(7)8(10-5)11-13/h3-4H2,1-2H3
InChIKeyGJLWZTVGHKYTOC-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.13
Rot. Bonds1

About 2,6-dimethyl-4-nitroso-5,7-dihydropyrrolo[3,4-d]pyrimidine

2,6-dimethyl-4-nitroso-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 134410807) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2,6-dimethyl-4-nitroso-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2,6-dimethyl-4-nitroso-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID134410807
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2,6-dimethyl-4-nitroso-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCc1nc2c(c(N=O)n1)CN(C)C2
InChIInChI=1S/C8H10N4O/c1-5-9-7-4-12(2)3-6(7)8(10-5)11-13/h3-4H2,1-2H3
InChIKeyGJLWZTVGHKYTOC-UHFFFAOYSA-N
XLogP1.13
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-nitroso-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2,6-dimethyl-4-nitroso-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 134410807) is 2,6-dimethyl-4-nitroso-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2,6-dimethyl-4-nitroso-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2,6-dimethyl-4-nitroso-5,7-dihydropyrrolo[3,4-d]pyrimidine is Cc1nc2c(c(N=O)n1)CN(C)C2.
What is the InChIKey of 2,6-dimethyl-4-nitroso-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is GJLWZTVGHKYTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-5-9-7-4-12(2)3-6(7)8(10-5)11-13/h3-4H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-nitroso-5,7-dihydropyrrolo[3,4-d]pyrimidine?
2,6-dimethyl-4-nitroso-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 178.19 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-nitroso-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 134410807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).