[2-(2-methoxyethoxy)-6-methylpyrimidin-4-yl]methanamine

C9H15N3O2 — CID 107542476

IUPAC[2-(2-methoxyethoxy)-6-methylpyrimidin-4-yl]methanamine
SMILESCOCCOc1nc(C)cc(CN)n1
InChIInChI=1S/C9H15N3O2/c1-7-5-8(6-10)12-9(11-7)14-4-3-13-2/h5H,3-4,6,10H2,1-2H3
InChIKeyLEDNHRFTDMHKAR-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.27
Rot. Bonds5

About [2-(2-methoxyethoxy)-6-methylpyrimidin-4-yl]methanamine

[2-(2-methoxyethoxy)-6-methylpyrimidin-4-yl]methanamine (PubChem CID 107542476) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is [2-(2-methoxyethoxy)-6-methylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methoxyethoxy)-6-methylpyrimidin-4-yl]methanamine
PubChem CID107542476
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name[2-(2-methoxyethoxy)-6-methylpyrimidin-4-yl]methanamine
SMILESCOCCOc1nc(C)cc(CN)n1
InChIInChI=1S/C9H15N3O2/c1-7-5-8(6-10)12-9(11-7)14-4-3-13-2/h5H,3-4,6,10H2,1-2H3
InChIKeyLEDNHRFTDMHKAR-UHFFFAOYSA-N
XLogP0.27
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-cyclopropylethoxy)-6-methylpyrimidin-4-yl]methanamine
CID 106199453
[6-methyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methanamine
CID 107542547
[6-methyl-2-(2-propoxyphenoxy)pyrimidin-4-yl]methanamine
CID 107542475
[6-methyl-2-(oxolan-3-ylmethoxy)pyrimidin-4-yl]methanamine
CID 107542654
[6-methyl-2-(oxan-2-ylmethoxy)pyrimidin-4-yl]methanamine
CID 107542496
2-(3-methoxypropoxy)-6-methylpyrimidine-4-carboximidamide
CID 107551032
[4-(2-methoxyethoxy)-2-pyridinyl]methanamine
CID 62292533
2-(2-methoxyethoxy)-1,3,5-triazine
CID 154184593
(2-ethyl-6-methylpyrimidin-4-yl)methanamine
CID 62743734
[1-[2-(2-methoxyethoxy)ethoxy]isoquinolin-3-yl]methanamine
CID 104566277
[3-[4-(aminomethyl)-6-methylpyrimidin-2-yl]oxyphenyl]methanol
CID 107542656
[2-[2-(3-methoxypropoxy)ethoxy]-4,6-dimethyl-3-pyridinyl]methanamine
CID 103176709

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethoxy)-6-methylpyrimidin-4-yl]methanamine?
The IUPAC name of [2-(2-methoxyethoxy)-6-methylpyrimidin-4-yl]methanamine (CID 107542476) is [2-(2-methoxyethoxy)-6-methylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(2-methoxyethoxy)-6-methylpyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(2-methoxyethoxy)-6-methylpyrimidin-4-yl]methanamine is COCCOc1nc(C)cc(CN)n1.
What is the InChIKey of [2-(2-methoxyethoxy)-6-methylpyrimidin-4-yl]methanamine?
The InChIKey is LEDNHRFTDMHKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7-5-8(6-10)12-9(11-7)14-4-3-13-2/h5H,3-4,6,10H2,1-2H3.
What are the key properties of [2-(2-methoxyethoxy)-6-methylpyrimidin-4-yl]methanamine?
[2-(2-methoxyethoxy)-6-methylpyrimidin-4-yl]methanamine has a molecular weight of 197.24 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethoxy)-6-methylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 107542476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).