1-[2-[2-(2-methoxyethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanamine

C12H21N3O2 — CID 102929088

IUPAC1-[2-[2-(2-methoxyethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanamine
SMILESCOCCOCCc1ncc(C(C)N)c(C)n1
InChIInChI=1S/C12H21N3O2/c1-9(13)11-8-14-12(15-10(11)2)4-5-17-7-6-16-3/h8-9H,4-7,13H2,1-3H3
InChIKeyFDHUBGSGQQLUJQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.01
Rot. Bonds7

About 1-[2-[2-(2-methoxyethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanamine

1-[2-[2-(2-methoxyethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanamine (PubChem CID 102929088) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanamine
PubChem CID102929088
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanamine
SMILESCOCCOCCc1ncc(C(C)N)c(C)n1
InChIInChI=1S/C12H21N3O2/c1-9(13)11-8-14-12(15-10(11)2)4-5-17-7-6-16-3/h8-9H,4-7,13H2,1-3H3
InChIKeyFDHUBGSGQQLUJQ-UHFFFAOYSA-N
XLogP1.01
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-[2-(2-methoxyethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]ethanamine
CID 103431732
(1S)-1-[2-(2-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine
CID 103432077
1-[4-methyl-2-(2-methylpropyl)pyrimidin-5-yl]ethanamine
CID 62770485
(1S)-1-[2-(3-methoxypropyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431529
2-[5-[(1R)-1-aminoethyl]-4-methylpyrimidin-2-yl]acetamide
CID 94587533
(1R)-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine
CID 94587549
(1S)-1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 102926963
1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanol
CID 103150772
(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]ethanamine
CID 103476596
5-bromo-4-chloro-2-[2-(2-methoxyethoxy)ethyl]pyrimidine
CID 102927230
ethyl 4-ethyl-2-[2-(2-methoxyethoxy)ethyl]pyrimidine-5-carboxylate
CID 102972911
5-(bromomethyl)-2-[2-(2-methoxyethoxy)ethyl]-4-propylpyrimidine
CID 114205686

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanamine?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanamine (CID 102929088) is 1-[2-[2-(2-methoxyethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanamine.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanamine?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanamine is COCCOCCc1ncc(C(C)N)c(C)n1.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanamine?
The InChIKey is FDHUBGSGQQLUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(13)11-8-14-12(15-10(11)2)4-5-17-7-6-16-3/h8-9H,4-7,13H2,1-3H3.
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanamine?
1-[2-[2-(2-methoxyethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanamine has a molecular weight of 239.32 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanamine is sourced from PubChem (CID 102929088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).