carbanide;N-methyl-4H-pyrimidin-4-id-6-amine;vanadium(2+)

C6H9N3V — CID 59119304

IUPACcarbanide;N-methyl-4H-pyrimidin-4-id-6-amine;vanadium(2+)
SMILESCNc1c[c-]ncn1.[CH3-].[V+2]
InChIInChI=1S/C5H6N3.CH3.V/c1-6-5-2-3-7-4-8-5;;/h2,4H,1H3,(H,6,7,8);1H3;/q2*-1;+2
InChIKeyQKFFKHVPSMRGCC-UHFFFAOYSA-N
MW174.10 g/mol
LogP0.77
Rot. Bonds1

About carbanide;N-methyl-4H-pyrimidin-4-id-6-amine;vanadium(2+)

carbanide;N-methyl-4H-pyrimidin-4-id-6-amine;vanadium(2+) (PubChem CID 59119304) has the molecular formula C6H9N3V and a molecular weight of 174.10 g/mol. Its IUPAC name is carbanide;N-methyl-4H-pyrimidin-4-id-6-amine;vanadium(2+).

Molecular Properties

Compound Namecarbanide;N-methyl-4H-pyrimidin-4-id-6-amine;vanadium(2+)
PubChem CID59119304
Molecular FormulaC6H9N3V
Molecular Weight174.10 g/mol
Exact Mass174.02
IUPAC Namecarbanide;N-methyl-4H-pyrimidin-4-id-6-amine;vanadium(2+)
SMILESCNc1c[c-]ncn1.[CH3-].[V+2]
InChIInChI=1S/C5H6N3.CH3.V/c1-6-5-2-3-7-4-8-5;;/h2,4H,1H3,(H,6,7,8);1H3;/q2*-1;+2
InChIKeyQKFFKHVPSMRGCC-UHFFFAOYSA-N
XLogP0.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.10
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;N-methyl-4H-pyrimidin-4-id-6-amine;vanadium(2+)?
The IUPAC name of carbanide;N-methyl-4H-pyrimidin-4-id-6-amine;vanadium(2+) (CID 59119304) is carbanide;N-methyl-4H-pyrimidin-4-id-6-amine;vanadium(2+).
What is the SMILES notation for carbanide;N-methyl-4H-pyrimidin-4-id-6-amine;vanadium(2+)?
The canonical SMILES for carbanide;N-methyl-4H-pyrimidin-4-id-6-amine;vanadium(2+) is CNc1c[c-]ncn1.[CH3-].[V+2].
What is the InChIKey of carbanide;N-methyl-4H-pyrimidin-4-id-6-amine;vanadium(2+)?
The InChIKey is QKFFKHVPSMRGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N3.CH3.V/c1-6-5-2-3-7-4-8-5;;/h2,4H,1H3,(H,6,7,8);1H3;/q2*-1;+2.
What are the key properties of carbanide;N-methyl-4H-pyrimidin-4-id-6-amine;vanadium(2+)?
carbanide;N-methyl-4H-pyrimidin-4-id-6-amine;vanadium(2+) has a molecular weight of 174.10 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;N-methyl-4H-pyrimidin-4-id-6-amine;vanadium(2+) is sourced from PubChem (CID 59119304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).