N-pyrimidin-5-ylformamide

C5H5N3O — CID 535165

IUPACN-pyrimidin-5-ylformamide
SMILESO=CNc1cncnc1
InChIInChI=1S/C5H5N3O/c9-4-8-5-1-6-3-7-2-5/h1-4H,(H,8,9)
InChIKeyNKKLCOFTJVNYAQ-UHFFFAOYSA-N
MW123.11 g/mol
LogP0.04
Rot. Bonds2

About N-pyrimidin-5-ylformamide

N-pyrimidin-5-ylformamide (PubChem CID 535165) has the molecular formula C5H5N3O and a molecular weight of 123.11 g/mol. Its IUPAC name is N-pyrimidin-5-ylformamide.

Molecular Properties

Compound NameN-pyrimidin-5-ylformamide
PubChem CID535165
Molecular FormulaC5H5N3O
Molecular Weight123.11 g/mol
Exact Mass123.04
IUPAC NameN-pyrimidin-5-ylformamide
SMILESO=CNc1cncnc1
InChIInChI=1S/C5H5N3O/c9-4-8-5-1-6-3-7-2-5/h1-4H,(H,8,9)
InChIKeyNKKLCOFTJVNYAQ-UHFFFAOYSA-N
XLogP0.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Pyrimidin-5-amine
CID 344373
Pyrimidine-2,4,5-triamine
CID 148506
7H-Purin-8-ol
CID 229771
4,6-Diamino-5-formamidopyrimidine
CID 114926
4,5-Diaminopyrimidine
CID 83703
2-Chloropyrimidine-4,5-diamine
CID 84565
Pyrimidine-2,5-diamine
CID 229075
N-(2-Pyrimidinyl)-formamide
CID 255580
8-Oxo-7,8-dihydrodeoxyguanine
CID 5356758
N,N-dimethylpyrimidin-5-amine
CID 578965
pteridin-7(8H)-one
CID 590549
Pyrimidine, 5-amino-2-butoxy-
CID 3041747

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-5-ylformamide?
The IUPAC name of N-pyrimidin-5-ylformamide (CID 535165) is N-pyrimidin-5-ylformamide.
What is the SMILES notation for N-pyrimidin-5-ylformamide?
The canonical SMILES for N-pyrimidin-5-ylformamide is O=CNc1cncnc1.
What is the InChIKey of N-pyrimidin-5-ylformamide?
The InChIKey is NKKLCOFTJVNYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O/c9-4-8-5-1-6-3-7-2-5/h1-4H,(H,8,9).
What are the key properties of N-pyrimidin-5-ylformamide?
N-pyrimidin-5-ylformamide has a molecular weight of 123.11 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-5-ylformamide is sourced from PubChem (CID 535165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).