N-ethyl-3-methyl-1-(2-methylpyrimidin-4-yl)but-2-en-1-amine

C12H19N3 — CID 115530788

IUPACN-ethyl-3-methyl-1-(2-methylpyrimidin-4-yl)but-2-en-1-amine
SMILESCCNC(C=C(C)C)c1ccnc(C)n1
InChIInChI=1S/C12H19N3/c1-5-13-12(8-9(2)3)11-6-7-14-10(4)15-11/h6-8,12-13H,5H2,1-4H3
InChIKeyWSIRXQAQRUCQDS-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.40
Rot. Bonds4

About N-ethyl-3-methyl-1-(2-methylpyrimidin-4-yl)but-2-en-1-amine

N-ethyl-3-methyl-1-(2-methylpyrimidin-4-yl)but-2-en-1-amine (PubChem CID 115530788) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(2-methylpyrimidin-4-yl)but-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(2-methylpyrimidin-4-yl)but-2-en-1-amine
PubChem CID115530788
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-ethyl-3-methyl-1-(2-methylpyrimidin-4-yl)but-2-en-1-amine
SMILESCCNC(C=C(C)C)c1ccnc(C)n1
InChIInChI=1S/C12H19N3/c1-5-13-12(8-9(2)3)11-6-7-14-10(4)15-11/h6-8,12-13H,5H2,1-4H3
InChIKeyWSIRXQAQRUCQDS-UHFFFAOYSA-N
XLogP2.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530851
N-ethyl-2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530719
1-(3-chloro-2-pyridinyl)-N-ethyl-3-methylbut-2-en-1-amine
CID 103444555
N-ethyl-1-(2-methylpyrimidin-4-yl)heptan-1-amine
CID 113329619
N-ethyl-2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 113329611
3-hydroxy-3-(2-methylpyrimidin-4-yl)propanal
CID 114795373
N-ethyl-3-methyl-1-pyridin-3-ylbut-2-en-1-amine
CID 79190171
N-[(2-methylpyrimidin-4-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102833612
N-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-1-amine
CID 115530771
3-[2-(ethylamino)-2-(2-methylpyrimidin-4-yl)ethyl]pyridin-4-amine
CID 115530844
N-[(2-methylpyrimidin-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 113329606
N-[(2,5-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 115530861

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(2-methylpyrimidin-4-yl)but-2-en-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-(2-methylpyrimidin-4-yl)but-2-en-1-amine (CID 115530788) is N-ethyl-3-methyl-1-(2-methylpyrimidin-4-yl)but-2-en-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(2-methylpyrimidin-4-yl)but-2-en-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(2-methylpyrimidin-4-yl)but-2-en-1-amine is CCNC(C=C(C)C)c1ccnc(C)n1.
What is the InChIKey of N-ethyl-3-methyl-1-(2-methylpyrimidin-4-yl)but-2-en-1-amine?
The InChIKey is WSIRXQAQRUCQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-5-13-12(8-9(2)3)11-6-7-14-10(4)15-11/h6-8,12-13H,5H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-1-(2-methylpyrimidin-4-yl)but-2-en-1-amine?
N-ethyl-3-methyl-1-(2-methylpyrimidin-4-yl)but-2-en-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(2-methylpyrimidin-4-yl)but-2-en-1-amine is sourced from PubChem (CID 115530788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).