1-cyclopropyl-N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine

C12H19N3 — CID 63355256

IUPAC1-cyclopropyl-N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine
SMILESCCNC(Cc1ccnc(C)n1)C1CC1
InChIInChI=1S/C12H19N3/c1-3-13-12(10-4-5-10)8-11-6-7-14-9(2)15-11/h6-7,10,12-13H,3-5,8H2,1-2H3
InChIKeyLQTFTTSWACOTLU-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.72
Rot. Bonds5

About 1-cyclopropyl-N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine

1-cyclopropyl-N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine (PubChem CID 63355256) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine
PubChem CID63355256
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name1-cyclopropyl-N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine
SMILESCCNC(Cc1ccnc(C)n1)C1CC1
InChIInChI=1S/C12H19N3/c1-3-13-12(10-4-5-10)8-11-6-7-14-9(2)15-11/h6-7,10,12-13H,3-5,8H2,1-2H3
InChIKeyLQTFTTSWACOTLU-UHFFFAOYSA-N
XLogP1.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine?
The IUPAC name of 1-cyclopropyl-N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine (CID 63355256) is 1-cyclopropyl-N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine is CCNC(Cc1ccnc(C)n1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine?
The InChIKey is LQTFTTSWACOTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-13-12(10-4-5-10)8-11-6-7-14-9(2)15-11/h6-7,10,12-13H,3-5,8H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine?
1-cyclopropyl-N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine has a molecular weight of 205.31 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine is sourced from PubChem (CID 63355256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).