N-ethyl-1,1-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-amine

C8H18N3+ — CID 3290336

IUPACN-ethyl-1,1-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-amine
SMILESCCNC1=NCCC[N+]1(C)C
InChIInChI=1S/C8H18N3/c1-4-9-8-10-6-5-7-11(8,2)3/h4-7H2,1-3H3,(H,9,10)/q+1
InChIKeyAVBIHRIEIPYUCD-UHFFFAOYSA-N
MW156.25 g/mol
LogP0.43
Rot. Bonds1

About N-ethyl-1,1-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-amine

N-ethyl-1,1-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-amine (PubChem CID 3290336) has the molecular formula C8H18N3+ and a molecular weight of 156.25 g/mol. Its IUPAC name is N-ethyl-1,1-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-amine
PubChem CID3290336
Molecular FormulaC8H18N3+
Molecular Weight156.25 g/mol
Exact Mass156.15
IUPAC NameN-ethyl-1,1-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-amine
SMILESCCNC1=NCCC[N+]1(C)C
InChIInChI=1S/C8H18N3/c1-4-9-8-10-6-5-7-11(8,2)3/h4-7H2,1-3H3,(H,9,10)/q+1
InChIKeyAVBIHRIEIPYUCD-UHFFFAOYSA-N
XLogP0.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-amine?
The IUPAC name of N-ethyl-1,1-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-amine (CID 3290336) is N-ethyl-1,1-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-amine.
What is the SMILES notation for N-ethyl-1,1-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-amine?
The canonical SMILES for N-ethyl-1,1-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-amine is CCNC1=NCCC[N+]1(C)C.
What is the InChIKey of N-ethyl-1,1-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-amine?
The InChIKey is AVBIHRIEIPYUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N3/c1-4-9-8-10-6-5-7-11(8,2)3/h4-7H2,1-3H3,(H,9,10)/q+1.
What are the key properties of N-ethyl-1,1-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-amine?
N-ethyl-1,1-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-amine has a molecular weight of 156.25 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-amine is sourced from PubChem (CID 3290336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).