N-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)acetamide

C8H8N4O2 — CID 135478887

IUPACN-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc2[nH]ccc2c(=O)[nH]1
InChIInChI=1S/C8H8N4O2/c1-4(13)10-8-11-6-5(2-3-9-6)7(14)12-8/h2-3H,1H3,(H3,9,10,11,12,13,14)
InChIKeyNJGZQPCFKATHHP-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.21
Rot. Bonds1

About N-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)acetamide

N-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)acetamide (PubChem CID 135478887) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is N-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)acetamide
PubChem CID135478887
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC NameN-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc2[nH]ccc2c(=O)[nH]1
InChIInChI=1S/C8H8N4O2/c1-4(13)10-8-11-6-5(2-3-9-6)7(14)12-8/h2-3H,1H3,(H3,9,10,11,12,13,14)
InChIKeyNJGZQPCFKATHHP-UHFFFAOYSA-N
XLogP0.21
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)acetamide?
The IUPAC name of N-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)acetamide (CID 135478887) is N-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)acetamide is CC(=O)Nc1nc2[nH]ccc2c(=O)[nH]1.
What is the InChIKey of N-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)acetamide?
The InChIKey is NJGZQPCFKATHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-4(13)10-8-11-6-5(2-3-9-6)7(14)12-8/h2-3H,1H3,(H3,9,10,11,12,13,14).
What are the key properties of N-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)acetamide?
N-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)acetamide has a molecular weight of 192.18 g/mol, XLogP of 0.21, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 135478887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).