7-nitroso-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C6H4N4O2 — CID 136608906

IUPAC7-nitroso-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=Nc1c[nH]c2c(=O)[nH]cnc12
InChIInChI=1S/C6H4N4O2/c11-6-5-4(8-2-9-6)3(10-12)1-7-5/h1-2,7H,(H,8,9,11)
InChIKeyITPKDDYCEMYRSW-UHFFFAOYSA-N
MW164.12 g/mol
LogP0.65
Rot. Bonds1

About 7-nitroso-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

7-nitroso-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 136608906) has the molecular formula C6H4N4O2 and a molecular weight of 164.12 g/mol. Its IUPAC name is 7-nitroso-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-nitroso-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID136608906
Molecular FormulaC6H4N4O2
Molecular Weight164.12 g/mol
Exact Mass164.03
IUPAC Name7-nitroso-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=Nc1c[nH]c2c(=O)[nH]cnc12
InChIInChI=1S/C6H4N4O2/c11-6-5-4(8-2-9-6)3(10-12)1-7-5/h1-2,7H,(H,8,9,11)
InChIKeyITPKDDYCEMYRSW-UHFFFAOYSA-N
XLogP0.65
TPSA90.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-Deazaguanine
CID 135461003
9-Deazahypoxanthine
CID 135488881
7-(pyrrolidin-1-ylmethyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
CID 136002689
HGXPRT Inhibitor, 2
CID 136259531
Bvrxdffpqaiffp-uhfffaoysa-
CID 135408953
Bvrxdffpqaiffp-uhfffaoysa-
CID 135408953
7-Bromo-1,5-dihydro-4H-pyrrolo[3,2-D]pyrimidin-4-one
CID 135743711
7-Ethyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 136602297
7-Ethyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 136602297
2,7-Dibromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135408951
2,7-Dibromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135408951
7-(Trifluoromethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 169148809

Frequently Asked Questions

What is the IUPAC name of 7-nitroso-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-nitroso-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 136608906) is 7-nitroso-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-nitroso-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-nitroso-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is O=Nc1c[nH]c2c(=O)[nH]cnc12.
What is the InChIKey of 7-nitroso-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is ITPKDDYCEMYRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O2/c11-6-5-4(8-2-9-6)3(10-12)1-7-5/h1-2,7H,(H,8,9,11).
What are the key properties of 7-nitroso-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
7-nitroso-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 164.12 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitroso-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136608906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).