1,2,3,4,5,6-hexamethyl-2H-pyrimidin-3-ium

C10H19N2+ — CID 162287893

IUPAC1,2,3,4,5,6-hexamethyl-2H-pyrimidin-3-ium
SMILESCC1=C(C)N(C)C(C)[N+](C)=C1C
InChIInChI=1S/C10H19N2/c1-7-8(2)11(5)10(4)12(6)9(7)3/h10H,1-6H3/q+1
InChIKeyOHFWIHWIBXQRBH-UHFFFAOYSA-N
MW167.28 g/mol
LogP1.67
Rot. Bonds

About 1,2,3,4,5,6-hexamethyl-2H-pyrimidin-3-ium

1,2,3,4,5,6-hexamethyl-2H-pyrimidin-3-ium (PubChem CID 162287893) has the molecular formula C10H19N2+ and a molecular weight of 167.28 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexamethyl-2H-pyrimidin-3-ium.

Molecular Properties

Compound Name1,2,3,4,5,6-hexamethyl-2H-pyrimidin-3-ium
PubChem CID162287893
Molecular FormulaC10H19N2+
Molecular Weight167.28 g/mol
Exact Mass167.15
IUPAC Name1,2,3,4,5,6-hexamethyl-2H-pyrimidin-3-ium
SMILESCC1=C(C)N(C)C(C)[N+](C)=C1C
InChIInChI=1S/C10H19N2/c1-7-8(2)11(5)10(4)12(6)9(7)3/h10H,1-6H3/q+1
InChIKeyOHFWIHWIBXQRBH-UHFFFAOYSA-N
XLogP1.67
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1,4,5,6-tetramethyl-2H-pyrimidine
CID 150466172
4-Ethyl-1,5,6-trimethyl-2-methylidenepyrimidine
CID 18731642
1,4,5,6-Tetramethyl-2-methylidenepyrimidine
CID 58719988
1-Tert-butyl-4,5,6-trimethyl-2-methylidenepyrimidine
CID 58821063
CID 69907556
CID 69907556
1,2,2,4,5,6-Hexamethylpyrimidine
CID 69907557
1,2,4,5,6-pentamethyl-2H-pyrimidine
CID 70522582
(Z)-N,3-dimethyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 90213447
5,6-diethyl-1-propan-2-yl-2H-pyrimidine
CID 143925685
(E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine;ethane
CID 178170753
(E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine
CID 178170754

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexamethyl-2H-pyrimidin-3-ium?
The IUPAC name of 1,2,3,4,5,6-hexamethyl-2H-pyrimidin-3-ium (CID 162287893) is 1,2,3,4,5,6-hexamethyl-2H-pyrimidin-3-ium.
What is the SMILES notation for 1,2,3,4,5,6-hexamethyl-2H-pyrimidin-3-ium?
The canonical SMILES for 1,2,3,4,5,6-hexamethyl-2H-pyrimidin-3-ium is CC1=C(C)N(C)C(C)[N+](C)=C1C.
What is the InChIKey of 1,2,3,4,5,6-hexamethyl-2H-pyrimidin-3-ium?
The InChIKey is OHFWIHWIBXQRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2/c1-7-8(2)11(5)10(4)12(6)9(7)3/h10H,1-6H3/q+1.
What are the key properties of 1,2,3,4,5,6-hexamethyl-2H-pyrimidin-3-ium?
1,2,3,4,5,6-hexamethyl-2H-pyrimidin-3-ium has a molecular weight of 167.28 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexamethyl-2H-pyrimidin-3-ium is sourced from PubChem (CID 162287893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).