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

C9H15N3 — CID 115529481

IUPACN-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine
SMILESCCNCCc1ccnc(C)n1
InChIInChI=1S/C9H15N3/c1-3-10-6-4-9-5-7-11-8(2)12-9/h5,7,10H,3-4,6H2,1-2H3
InChIKeyIQKMEYWLFHKIAH-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.94
Rot. Bonds4

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

N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine (PubChem CID 115529481) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine
PubChem CID115529481
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine
SMILESCCNCCc1ccnc(C)n1
InChIInChI=1S/C9H15N3/c1-3-10-6-4-9-5-7-11-8(2)12-9/h5,7,10H,3-4,6H2,1-2H3
InChIKeyIQKMEYWLFHKIAH-UHFFFAOYSA-N
XLogP0.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088
4-(2-chloroethyl)-2-methylpyrimidine
CID 115529496
2-(2-methylpyrimidin-4-yl)ethanamine;hydrochloride
CID 129319573
2-methyl-4-(3-methylbutyl)pyrimidine
CID 143330492
N'-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
CID 107445412
N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine
CID 106451723
1-(2-methylpyrimidin-4-yl)-N-propylpropan-2-amine
CID 63200567
4,4,4-trifluoro-N-[(2-methylpyrimidin-4-yl)methyl]butan-1-amine
CID 115513579
2-(2-methylprop-2-enoxy)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 114465996
N-[(5-ethylfuran-2-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
CID 62344748
6-N-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80814068
2-(4-methylpyrazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 114094649

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine?
The IUPAC name of N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine (CID 115529481) is N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine is CCNCCc1ccnc(C)n1.
What is the InChIKey of N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine?
The InChIKey is IQKMEYWLFHKIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-10-6-4-9-5-7-11-8(2)12-9/h5,7,10H,3-4,6H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine?
N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine has a molecular weight of 165.24 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine is sourced from PubChem (CID 115529481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).