hydroxyurea;pyrimidine

C5H8N4O2 — CID 158095220

IUPAChydroxyurea;pyrimidine
SMILESNC(=O)NO.c1cncnc1
InChIInChI=1S/C4H4N2.CH4N2O2/c1-2-5-4-6-3-1;2-1(4)3-5/h1-4H;5H,(H3,2,3,4)
InChIKeyFOOUNQDMZNAKEM-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.48
Rot. Bonds

About hydroxyurea;pyrimidine

hydroxyurea;pyrimidine (PubChem CID 158095220) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is hydroxyurea;pyrimidine.

Molecular Properties

Compound Namehydroxyurea;pyrimidine
PubChem CID158095220
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Namehydroxyurea;pyrimidine
SMILESNC(=O)NO.c1cncnc1
InChIInChI=1S/C4H4N2.CH4N2O2/c1-2-5-4-6-3-1;2-1(4)3-5/h1-4H;5H,(H3,2,3,4)
InChIKeyFOOUNQDMZNAKEM-UHFFFAOYSA-N
XLogP-0.48
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 hydroxyurea;pyrimidine?
The IUPAC name of hydroxyurea;pyrimidine (CID 158095220) is hydroxyurea;pyrimidine.
What is the SMILES notation for hydroxyurea;pyrimidine?
The canonical SMILES for hydroxyurea;pyrimidine is NC(=O)NO.c1cncnc1.
What is the InChIKey of hydroxyurea;pyrimidine?
The InChIKey is FOOUNQDMZNAKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.CH4N2O2/c1-2-5-4-6-3-1;2-1(4)3-5/h1-4H;5H,(H3,2,3,4).
What are the key properties of hydroxyurea;pyrimidine?
hydroxyurea;pyrimidine has a molecular weight of 156.15 g/mol, XLogP of -0.48, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxyurea;pyrimidine is sourced from PubChem (CID 158095220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).