N'-hydroxy-4H-pyrimidine-3-carboximidamide

C5H8N4O — CID 87186990

IUPACN'-hydroxy-4H-pyrimidine-3-carboximidamide
SMILESNC(=NO)N1C=NC=CC1
InChIInChI=1S/C5H8N4O/c6-5(8-10)9-3-1-2-7-4-9/h1-2,4,10H,3H2,(H2,6,8)
InChIKeyRATPJFGCCGJQRK-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.45
Rot. Bonds

About N'-hydroxy-4H-pyrimidine-3-carboximidamide

N'-hydroxy-4H-pyrimidine-3-carboximidamide (PubChem CID 87186990) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is N'-hydroxy-4H-pyrimidine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4H-pyrimidine-3-carboximidamide
PubChem CID87186990
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC NameN'-hydroxy-4H-pyrimidine-3-carboximidamide
SMILESNC(=NO)N1C=NC=CC1
InChIInChI=1S/C5H8N4O/c6-5(8-10)9-3-1-2-7-4-9/h1-2,4,10H,3H2,(H2,6,8)
InChIKeyRATPJFGCCGJQRK-UHFFFAOYSA-N
XLogP-0.45
TPSA74.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4H-pyrimidine-3-carboximidamide?
The IUPAC name of N'-hydroxy-4H-pyrimidine-3-carboximidamide (CID 87186990) is N'-hydroxy-4H-pyrimidine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4H-pyrimidine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4H-pyrimidine-3-carboximidamide is NC(=NO)N1C=NC=CC1.
What is the InChIKey of N'-hydroxy-4H-pyrimidine-3-carboximidamide?
The InChIKey is RATPJFGCCGJQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c6-5(8-10)9-3-1-2-7-4-9/h1-2,4,10H,3H2,(H2,6,8).
What are the key properties of N'-hydroxy-4H-pyrimidine-3-carboximidamide?
N'-hydroxy-4H-pyrimidine-3-carboximidamide has a molecular weight of 140.15 g/mol, XLogP of -0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4H-pyrimidine-3-carboximidamide is sourced from PubChem (CID 87186990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).