hydron;5H-pyrrolo[3,2-d]pyrimidin-7-yl acetate

C8H8N3O2+ — CID 174559146

IUPAChydron;5H-pyrrolo[3,2-d]pyrimidin-7-yl acetate
SMILESCC(=O)Oc1c[nH]c2cncnc12.[H+]
InChIInChI=1S/C8H7N3O2/c1-5(12)13-7-3-10-6-2-9-4-11-8(6)7/h2-4,10H,1H3/p+1
InChIKeyRPOQSJTUKSRMBH-UHFFFAOYSA-O
MW178.17 g/mol
LogP1.00
Rot. Bonds1

About hydron;5H-pyrrolo[3,2-d]pyrimidin-7-yl acetate

hydron;5H-pyrrolo[3,2-d]pyrimidin-7-yl acetate (PubChem CID 174559146) has the molecular formula C8H8N3O2+ and a molecular weight of 178.17 g/mol. Its IUPAC name is hydron;5H-pyrrolo[3,2-d]pyrimidin-7-yl acetate.

Molecular Properties

Compound Namehydron;5H-pyrrolo[3,2-d]pyrimidin-7-yl acetate
PubChem CID174559146
Molecular FormulaC8H8N3O2+
Molecular Weight178.17 g/mol
Exact Mass178.06
IUPAC Namehydron;5H-pyrrolo[3,2-d]pyrimidin-7-yl acetate
SMILESCC(=O)Oc1c[nH]c2cncnc12.[H+]
InChIInChI=1S/C8H7N3O2/c1-5(12)13-7-3-10-6-2-9-4-11-8(6)7/h2-4,10H,1H3/p+1
InChIKeyRPOQSJTUKSRMBH-UHFFFAOYSA-O
XLogP1.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

hydron;quinazolin-8-yl acetate
CID 174628972
5H-pyrrolo[3,2-d]pyrimidin-7-ol
CID 68714083
7-methyl-5H-pyrrolo[3,2-d]pyrimidine
CID 58957259
(4-chloropyrimidin-5-yl) acetate
CID 87174984
7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 59593072
(8-acetyloxyquinoxalin-5-yl) acetate
CID 119081746
7-methoxy-3H-imidazo[4,5-c]pyridine
CID 76845964
1-(6-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone
CID 123135094
6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid
CID 151076483
[2-methyl-5-(6-methyl-1H-indol-3-yl)-3-pyridinyl] acetate
CID 144902236
(2-acetyloxy-1H-imidazol-5-yl) acetate
CID 68981763
(5-acetamido-1H-pyrrolo[2,3-c]pyridin-3-yl) 5-acetamido-1H-pyrrolo[2,3-c]pyridine-3-carboxylate
CID 153429358

Frequently Asked Questions

What is the IUPAC name of hydron;5H-pyrrolo[3,2-d]pyrimidin-7-yl acetate?
The IUPAC name of hydron;5H-pyrrolo[3,2-d]pyrimidin-7-yl acetate (CID 174559146) is hydron;5H-pyrrolo[3,2-d]pyrimidin-7-yl acetate.
What is the SMILES notation for hydron;5H-pyrrolo[3,2-d]pyrimidin-7-yl acetate?
The canonical SMILES for hydron;5H-pyrrolo[3,2-d]pyrimidin-7-yl acetate is CC(=O)Oc1c[nH]c2cncnc12.[H+].
What is the InChIKey of hydron;5H-pyrrolo[3,2-d]pyrimidin-7-yl acetate?
The InChIKey is RPOQSJTUKSRMBH-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H7N3O2/c1-5(12)13-7-3-10-6-2-9-4-11-8(6)7/h2-4,10H,1H3/p+1.
What are the key properties of hydron;5H-pyrrolo[3,2-d]pyrimidin-7-yl acetate?
hydron;5H-pyrrolo[3,2-d]pyrimidin-7-yl acetate has a molecular weight of 178.17 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;5H-pyrrolo[3,2-d]pyrimidin-7-yl acetate is sourced from PubChem (CID 174559146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).