dimethyl-(1,3,6-trimethyl-4H-pyrimidin-2-ylidene)azanium

C9H18N3+ — CID 118535987

IUPACdimethyl-(1,3,6-trimethyl-4H-pyrimidin-2-ylidene)azanium
SMILESCC1=CCN(C)C(=[N+](C)C)N1C
InChIInChI=1S/C9H18N3/c1-8-6-7-11(4)9(10(2)3)12(8)5/h6H,7H2,1-5H3/q+1
InChIKeyLPHBKBIPXAFXER-UHFFFAOYSA-N
MW168.26 g/mol
LogP0.40
Rot. Bonds

About dimethyl-(1,3,6-trimethyl-4H-pyrimidin-2-ylidene)azanium

dimethyl-(1,3,6-trimethyl-4H-pyrimidin-2-ylidene)azanium (PubChem CID 118535987) has the molecular formula C9H18N3+ and a molecular weight of 168.26 g/mol. Its IUPAC name is dimethyl-(1,3,6-trimethyl-4H-pyrimidin-2-ylidene)azanium.

Molecular Properties

Compound Namedimethyl-(1,3,6-trimethyl-4H-pyrimidin-2-ylidene)azanium
PubChem CID118535987
Molecular FormulaC9H18N3+
Molecular Weight168.26 g/mol
Exact Mass168.15
IUPAC Namedimethyl-(1,3,6-trimethyl-4H-pyrimidin-2-ylidene)azanium
SMILESCC1=CCN(C)C(=[N+](C)C)N1C
InChIInChI=1S/C9H18N3/c1-8-6-7-11(4)9(10(2)3)12(8)5/h6H,7H2,1-5H3/q+1
InChIKeyLPHBKBIPXAFXER-UHFFFAOYSA-N
XLogP0.40
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-(1,3,6-trimethyl-4H-pyrimidin-2-ylidene)azanium?
The IUPAC name of dimethyl-(1,3,6-trimethyl-4H-pyrimidin-2-ylidene)azanium (CID 118535987) is dimethyl-(1,3,6-trimethyl-4H-pyrimidin-2-ylidene)azanium.
What is the SMILES notation for dimethyl-(1,3,6-trimethyl-4H-pyrimidin-2-ylidene)azanium?
The canonical SMILES for dimethyl-(1,3,6-trimethyl-4H-pyrimidin-2-ylidene)azanium is CC1=CCN(C)C(=[N+](C)C)N1C.
What is the InChIKey of dimethyl-(1,3,6-trimethyl-4H-pyrimidin-2-ylidene)azanium?
The InChIKey is LPHBKBIPXAFXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N3/c1-8-6-7-11(4)9(10(2)3)12(8)5/h6H,7H2,1-5H3/q+1.
What are the key properties of dimethyl-(1,3,6-trimethyl-4H-pyrimidin-2-ylidene)azanium?
dimethyl-(1,3,6-trimethyl-4H-pyrimidin-2-ylidene)azanium has a molecular weight of 168.26 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(1,3,6-trimethyl-4H-pyrimidin-2-ylidene)azanium is sourced from PubChem (CID 118535987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).