[2-(2-ethoxyethyl)pyrimidin-4-yl]methanamine

C9H15N3O — CID 106815490

IUPAC[2-(2-ethoxyethyl)pyrimidin-4-yl]methanamine
SMILESCCOCCc1nccc(CN)n1
InChIInChI=1S/C9H15N3O/c1-2-13-6-4-9-11-5-3-8(7-10)12-9/h3,5H,2,4,6-7,10H2,1H3
InChIKeyPDFDYKCTKNCBLE-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.51
Rot. Bonds5

About [2-(2-ethoxyethyl)pyrimidin-4-yl]methanamine

[2-(2-ethoxyethyl)pyrimidin-4-yl]methanamine (PubChem CID 106815490) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [2-(2-ethoxyethyl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2-ethoxyethyl)pyrimidin-4-yl]methanamine
PubChem CID106815490
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[2-(2-ethoxyethyl)pyrimidin-4-yl]methanamine
SMILESCCOCCc1nccc(CN)n1
InChIInChI=1S/C9H15N3O/c1-2-13-6-4-9-11-5-3-8(7-10)12-9/h3,5H,2,4,6-7,10H2,1H3
InChIKeyPDFDYKCTKNCBLE-UHFFFAOYSA-N
XLogP0.51
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2-ethoxyethyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 106815497
2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine
CID 106815248
2-[4-(aminomethyl)pyrimidin-2-yl]-N,N-dimethylethanamine
CID 115347124
2,4-bis(2-methoxyethyl)pyrimidine
CID 174836180
2-(2-propylpyrimidin-4-yl)ethanamine
CID 62744687
[2-[(dimethylamino)methyl]pyrimidin-4-yl]methanamine
CID 79089467
azane;2,4-dipropylpyrimidine
CID 174500974
[2-(2-ethoxyethyl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 106815543
[2-(phenylmethoxymethyl)pyrimidin-4-yl]methanamine
CID 131115318
2-(4-ethoxypyrimidin-2-yl)ethanamine
CID 112639157
4-butyl-2-propylpyrimidine
CID 20597890
[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]methanamine
CID 62830563

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyethyl)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(2-ethoxyethyl)pyrimidin-4-yl]methanamine (CID 106815490) is [2-(2-ethoxyethyl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(2-ethoxyethyl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(2-ethoxyethyl)pyrimidin-4-yl]methanamine is CCOCCc1nccc(CN)n1.
What is the InChIKey of [2-(2-ethoxyethyl)pyrimidin-4-yl]methanamine?
The InChIKey is PDFDYKCTKNCBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-13-6-4-9-11-5-3-8(7-10)12-9/h3,5H,2,4,6-7,10H2,1H3.
What are the key properties of [2-(2-ethoxyethyl)pyrimidin-4-yl]methanamine?
[2-(2-ethoxyethyl)pyrimidin-4-yl]methanamine has a molecular weight of 181.24 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyethyl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 106815490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).