6-ethyl-1,3,4-trimethyl-4H-pyrimidin-3-ium

C9H17N2+ — CID 123248580

IUPAC6-ethyl-1,3,4-trimethyl-4H-pyrimidin-3-ium
SMILESCCC1=CC(C)[N+](C)=CN1C
InChIInChI=1S/C9H17N2/c1-5-9-6-8(2)10(3)7-11(9)4/h6-8H,5H2,1-4H3/q+1
InChIKeyFVPJBDSGKBOOPK-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.28
Rot. Bonds1

About 6-ethyl-1,3,4-trimethyl-4H-pyrimidin-3-ium

6-ethyl-1,3,4-trimethyl-4H-pyrimidin-3-ium (PubChem CID 123248580) has the molecular formula C9H17N2+ and a molecular weight of 153.25 g/mol. Its IUPAC name is 6-ethyl-1,3,4-trimethyl-4H-pyrimidin-3-ium.

Molecular Properties

Compound Name6-ethyl-1,3,4-trimethyl-4H-pyrimidin-3-ium
PubChem CID123248580
Molecular FormulaC9H17N2+
Molecular Weight153.25 g/mol
Exact Mass153.14
IUPAC Name6-ethyl-1,3,4-trimethyl-4H-pyrimidin-3-ium
SMILESCCC1=CC(C)[N+](C)=CN1C
InChIInChI=1S/C9H17N2/c1-5-9-6-8(2)10(3)7-11(9)4/h6-8H,5H2,1-4H3/q+1
InChIKeyFVPJBDSGKBOOPK-UHFFFAOYSA-N
XLogP1.28
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.28
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

N'-(3-fluorobuta-1,3-dien-2-yl)-N-[(3Z)-hexa-3,5-dienyl]-N-methylmethanimidamide
CID 156447090
3-(2-fluoroethyl)-4,6-dimethyl-4H-pyrimidine
CID 144939804
3-ethyl-6-propyl-4H-pyrimidine
CID 53815368
4,6-dimethyl-3-sulfanyl-4H-pyrimidine
CID 54177417
2,3,4,6-tetramethyl-4H-pyrimidine
CID 57268687
1,6-ditert-butyl-4H-pyrimidine
CID 58300072
1,3-dimethyl-6-propan-2-yl-4H-pyrimidin-3-ium
CID 91197435
N,N,6-triethyl-1,3-dimethyl-4H-pyrimidin-3-ium-2-amine
CID 118535997
3,4,6-trimethyl-4H-pyrimidine
CID 122691160
N-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide
CID 123417471
(5E)-5-ethylidene-3,4-dimethyl-4H-imidazole
CID 134476232
(6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine
CID 137445526

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,3,4-trimethyl-4H-pyrimidin-3-ium?
The IUPAC name of 6-ethyl-1,3,4-trimethyl-4H-pyrimidin-3-ium (CID 123248580) is 6-ethyl-1,3,4-trimethyl-4H-pyrimidin-3-ium.
What is the SMILES notation for 6-ethyl-1,3,4-trimethyl-4H-pyrimidin-3-ium?
The canonical SMILES for 6-ethyl-1,3,4-trimethyl-4H-pyrimidin-3-ium is CCC1=CC(C)[N+](C)=CN1C.
What is the InChIKey of 6-ethyl-1,3,4-trimethyl-4H-pyrimidin-3-ium?
The InChIKey is FVPJBDSGKBOOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2/c1-5-9-6-8(2)10(3)7-11(9)4/h6-8H,5H2,1-4H3/q+1.
What are the key properties of 6-ethyl-1,3,4-trimethyl-4H-pyrimidin-3-ium?
6-ethyl-1,3,4-trimethyl-4H-pyrimidin-3-ium has a molecular weight of 153.25 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,3,4-trimethyl-4H-pyrimidin-3-ium is sourced from PubChem (CID 123248580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).