N-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)acetamide

C8H8N4O — CID 141390191

IUPACN-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)acetamide
SMILESCC(=O)Nc1ncnc2cc[nH]c12
InChIInChI=1S/C8H8N4O/c1-5(13)12-8-7-6(2-3-9-7)10-4-11-8/h2-4,9H,1H3,(H,10,11,12,13)
InChIKeyDFEDUFFZVLIFLP-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.92
Rot. Bonds1

About N-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)acetamide

N-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)acetamide (PubChem CID 141390191) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is N-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)acetamide
PubChem CID141390191
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC NameN-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)acetamide
SMILESCC(=O)Nc1ncnc2cc[nH]c12
InChIInChI=1S/C8H8N4O/c1-5(13)12-8-7-6(2-3-9-7)10-4-11-8/h2-4,9H,1H3,(H,10,11,12,13)
InChIKeyDFEDUFFZVLIFLP-UHFFFAOYSA-N
XLogP0.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786251
5-[(5H-pyrrolo[3,2-d]pyrimidin-4-ylamino)methyl]-1H-pyrazole-3-carboxylic acid
CID 166317079
ethane;4-methyl-5H-pyrrolo[3,2-d]pyrimidine
CID 143935779
N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride
CID 12843607
N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;prop-1-ene
CID 143477774
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 138383237
2-methyl-N-(7H-purin-6-yl)prop-2-enamide
CID 142419518
N-[2-(4-benzylpiperazin-1-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine;formic acid
CID 171321549
N-[6-iodo-5-(iodoamino)pyrimidin-4-yl]acetamide
CID 143245803
6-acetamido-5-fluoropyrimidine-4-carboxylic acid
CID 167727873
N-(4-acetamidopyrimidin-5-yl)acetamide
CID 130007487
4-chloro-5H-pyrrolo[3,2-d]pyrimidine;4-methoxy-5H-pyrrolo[3,2-d]pyrimidine
CID 158692635

Frequently Asked Questions

What is the IUPAC name of N-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)acetamide?
The IUPAC name of N-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)acetamide (CID 141390191) is N-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)acetamide?
The canonical SMILES for N-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)acetamide is CC(=O)Nc1ncnc2cc[nH]c12.
What is the InChIKey of N-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)acetamide?
The InChIKey is DFEDUFFZVLIFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-5(13)12-8-7-6(2-3-9-7)10-4-11-8/h2-4,9H,1H3,(H,10,11,12,13).
What are the key properties of N-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)acetamide?
N-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)acetamide has a molecular weight of 176.18 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 141390191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).