1-(hydrazinylmethyl)-5-methylpyrimidine-2,4-dione

C6H10N4O2 — CID 142548248

IUPAC1-(hydrazinylmethyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CNN)c(=O)[nH]c1=O
InChIInChI=1S/C6H10N4O2/c1-4-2-10(3-8-7)6(12)9-5(4)11/h2,8H,3,7H2,1H3,(H,9,11,12)
InChIKeyVLTFWZMCHLBNIE-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.73
Rot. Bonds2

About 1-(hydrazinylmethyl)-5-methylpyrimidine-2,4-dione

1-(hydrazinylmethyl)-5-methylpyrimidine-2,4-dione (PubChem CID 142548248) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-(hydrazinylmethyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(hydrazinylmethyl)-5-methylpyrimidine-2,4-dione
PubChem CID142548248
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name1-(hydrazinylmethyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CNN)c(=O)[nH]c1=O
InChIInChI=1S/C6H10N4O2/c1-4-2-10(3-8-7)6(12)9-5(4)11/h2,8H,3,7H2,1H3,(H,9,11,12)
InChIKeyVLTFWZMCHLBNIE-UHFFFAOYSA-N
XLogP-1.73
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 1-(hydrazinylmethyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(hydrazinylmethyl)-5-methylpyrimidine-2,4-dione (CID 142548248) is 1-(hydrazinylmethyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(hydrazinylmethyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(hydrazinylmethyl)-5-methylpyrimidine-2,4-dione is Cc1cn(CNN)c(=O)[nH]c1=O.
What is the InChIKey of 1-(hydrazinylmethyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is VLTFWZMCHLBNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-4-2-10(3-8-7)6(12)9-5(4)11/h2,8H,3,7H2,1H3,(H,9,11,12).
What are the key properties of 1-(hydrazinylmethyl)-5-methylpyrimidine-2,4-dione?
1-(hydrazinylmethyl)-5-methylpyrimidine-2,4-dione has a molecular weight of 170.17 g/mol, XLogP of -1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydrazinylmethyl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 142548248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).