1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide

C9H15N2+ — CID 59997627

IUPAC1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide
SMILESCc1[c-][n+](C)c(C)[n+](C)c1C
InChIInChI=1S/C9H15N2/c1-7-6-10(4)9(3)11(5)8(7)2/h1-5H3/q+1
InChIKeyRLMMFOAOKYTZAI-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.06
Rot. Bonds

About 1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide

1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide (PubChem CID 59997627) has the molecular formula C9H15N2+ and a molecular weight of 151.23 g/mol. Its IUPAC name is 1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide.

Molecular Properties

Compound Name1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide
PubChem CID59997627
Molecular FormulaC9H15N2+
Molecular Weight151.23 g/mol
Exact Mass151.12
IUPAC Name1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide
SMILESCc1[c-][n+](C)c(C)[n+](C)c1C
InChIInChI=1S/C9H15N2/c1-7-6-10(4)9(3)11(5)8(7)2/h1-5H3/q+1
InChIKeyRLMMFOAOKYTZAI-UHFFFAOYSA-N
XLogP0.06
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

carbanide;2,5,6-trimethyl-4H-pyrimidin-4-ide;yttrium
CID 58651181
2,5,6-trimethyl-4H-pyrimidin-4-ide;yttrium
CID 59560496
1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide;rubidium(1+)
CID 59997626
1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide;yttrium
CID 60010075
rhodium;2,5,6-trimethyl-4H-pyrimidin-4-ide
CID 156844690
ethane;rubidium(1+);2,5,6-trimethyl-4H-pyrimidin-4-ide
CID 167503041
1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide
CID 20800963
carbanide;2,5,6-trimethyl-4H-pyrimidin-4-ide;yttrium(3+)
CID 21034538

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide?
The IUPAC name of 1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide (CID 59997627) is 1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide.
What is the SMILES notation for 1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide?
The canonical SMILES for 1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide is Cc1[c-][n+](C)c(C)[n+](C)c1C.
What is the InChIKey of 1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide?
The InChIKey is RLMMFOAOKYTZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2/c1-7-6-10(4)9(3)11(5)8(7)2/h1-5H3/q+1.
What are the key properties of 1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide?
1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide has a molecular weight of 151.23 g/mol, XLogP of 0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide is sourced from PubChem (CID 59997627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).