5-[(2-methylhydrazinyl)methyl]-1H-pyrimidine-2,4-dione;hydrochloride

C6H11ClN4O2 — CID 12528135

IUPAC5-[(2-methylhydrazinyl)methyl]-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCNNCc1c[nH]c(=O)[nH]c1=O.Cl
InChIInChI=1S/C6H10N4O2.ClH/c1-7-9-3-4-2-8-6(12)10-5(4)11;/h2,7,9H,3H2,1H3,(H2,8,10,11,12);1H
InChIKeyOITODQPPMPBCIX-UHFFFAOYSA-N
MW206.63 g/mol
LogP-1.29
Rot. Bonds3

About 5-[(2-methylhydrazinyl)methyl]-1H-pyrimidine-2,4-dione;hydrochloride

5-[(2-methylhydrazinyl)methyl]-1H-pyrimidine-2,4-dione;hydrochloride (PubChem CID 12528135) has the molecular formula C6H11ClN4O2 and a molecular weight of 206.63 g/mol. Its IUPAC name is 5-[(2-methylhydrazinyl)methyl]-1H-pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-[(2-methylhydrazinyl)methyl]-1H-pyrimidine-2,4-dione;hydrochloride
PubChem CID12528135
Molecular FormulaC6H11ClN4O2
Molecular Weight206.63 g/mol
Exact Mass206.06
IUPAC Name5-[(2-methylhydrazinyl)methyl]-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCNNCc1c[nH]c(=O)[nH]c1=O.Cl
InChIInChI=1S/C6H10N4O2.ClH/c1-7-9-3-4-2-8-6(12)10-5(4)11;/h2,7,9H,3H2,1H3,(H2,8,10,11,12);1H
InChIKeyOITODQPPMPBCIX-UHFFFAOYSA-N
XLogP-1.29
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylhydrazinyl)methyl]-1H-pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 5-[(2-methylhydrazinyl)methyl]-1H-pyrimidine-2,4-dione;hydrochloride (CID 12528135) is 5-[(2-methylhydrazinyl)methyl]-1H-pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-[(2-methylhydrazinyl)methyl]-1H-pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-[(2-methylhydrazinyl)methyl]-1H-pyrimidine-2,4-dione;hydrochloride is CNNCc1c[nH]c(=O)[nH]c1=O.Cl.
What is the InChIKey of 5-[(2-methylhydrazinyl)methyl]-1H-pyrimidine-2,4-dione;hydrochloride?
The InChIKey is OITODQPPMPBCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2.ClH/c1-7-9-3-4-2-8-6(12)10-5(4)11;/h2,7,9H,3H2,1H3,(H2,8,10,11,12);1H.
What are the key properties of 5-[(2-methylhydrazinyl)methyl]-1H-pyrimidine-2,4-dione;hydrochloride?
5-[(2-methylhydrazinyl)methyl]-1H-pyrimidine-2,4-dione;hydrochloride has a molecular weight of 206.63 g/mol, XLogP of -1.29, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylhydrazinyl)methyl]-1H-pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 12528135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).