N,N,6-triethyl-1,3-dimethyl-4H-pyrimidin-3-ium-2-amine

C12H24N3+ — CID 118535997

IUPACN,N,6-triethyl-1,3-dimethyl-4H-pyrimidin-3-ium-2-amine
SMILESCCC1=CC[N+](C)=C(N(CC)CC)N1C
InChIInChI=1S/C12H24N3/c1-6-11-9-10-13(4)12(14(11)5)15(7-2)8-3/h9H,6-8,10H2,1-5H3/q+1
InChIKeyGNEDEPBYJVSUNW-UHFFFAOYSA-N
MW210.34 g/mol
LogP1.57
Rot. Bonds3

About N,N,6-triethyl-1,3-dimethyl-4H-pyrimidin-3-ium-2-amine

N,N,6-triethyl-1,3-dimethyl-4H-pyrimidin-3-ium-2-amine (PubChem CID 118535997) has the molecular formula C12H24N3+ and a molecular weight of 210.34 g/mol. Its IUPAC name is N,N,6-triethyl-1,3-dimethyl-4H-pyrimidin-3-ium-2-amine.

Molecular Properties

Compound NameN,N,6-triethyl-1,3-dimethyl-4H-pyrimidin-3-ium-2-amine
PubChem CID118535997
Molecular FormulaC12H24N3+
Molecular Weight210.34 g/mol
Exact Mass210.20
IUPAC NameN,N,6-triethyl-1,3-dimethyl-4H-pyrimidin-3-ium-2-amine
SMILESCCC1=CC[N+](C)=C(N(CC)CC)N1C
InChIInChI=1S/C12H24N3/c1-6-11-9-10-13(4)12(14(11)5)15(7-2)8-3/h9H,6-8,10H2,1-5H3/q+1
InChIKeyGNEDEPBYJVSUNW-UHFFFAOYSA-N
XLogP1.57
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 53815368
CID 53815368
CID 89682679
CID 89682679
CID 91197435
CID 91197435
CID 118535987
CID 118535987
CID 118535996
CID 118535996
CID 123248580
CID 123248580
CID 146531765
CID 146531765
CID 173855483
CID 173855483
CID 12695699
CID 12695699
CID 106476197
CID 106476197
CID 157171988
CID 157171988

Frequently Asked Questions

What is the IUPAC name of N,N,6-triethyl-1,3-dimethyl-4H-pyrimidin-3-ium-2-amine?
The IUPAC name of N,N,6-triethyl-1,3-dimethyl-4H-pyrimidin-3-ium-2-amine (CID 118535997) is N,N,6-triethyl-1,3-dimethyl-4H-pyrimidin-3-ium-2-amine.
What is the SMILES notation for N,N,6-triethyl-1,3-dimethyl-4H-pyrimidin-3-ium-2-amine?
The canonical SMILES for N,N,6-triethyl-1,3-dimethyl-4H-pyrimidin-3-ium-2-amine is CCC1=CC[N+](C)=C(N(CC)CC)N1C.
What is the InChIKey of N,N,6-triethyl-1,3-dimethyl-4H-pyrimidin-3-ium-2-amine?
The InChIKey is GNEDEPBYJVSUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N3/c1-6-11-9-10-13(4)12(14(11)5)15(7-2)8-3/h9H,6-8,10H2,1-5H3/q+1.
What are the key properties of N,N,6-triethyl-1,3-dimethyl-4H-pyrimidin-3-ium-2-amine?
N,N,6-triethyl-1,3-dimethyl-4H-pyrimidin-3-ium-2-amine has a molecular weight of 210.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-triethyl-1,3-dimethyl-4H-pyrimidin-3-ium-2-amine is sourced from PubChem (CID 118535997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).