4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine

C8H13N3O2 — CID 3777900

IUPAC4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine
SMILESCOCCOc1cc(C)nc(N)n1
InChIInChI=1S/C8H13N3O2/c1-6-5-7(11-8(9)10-6)13-4-3-12-2/h5H,3-4H2,1-2H3,(H2,9,10,11)
InChIKeyVCJHOFUOIQHNBC-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.39
Rot. Bonds4

About 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine

4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine (PubChem CID 3777900) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine
PubChem CID3777900
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine
SMILESCOCCOc1cc(C)nc(N)n1
InChIInChI=1S/C8H13N3O2/c1-6-5-7(11-8(9)10-6)13-4-3-12-2/h5H,3-4H2,1-2H3,(H2,9,10,11)
InChIKeyVCJHOFUOIQHNBC-UHFFFAOYSA-N
XLogP0.39
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.39
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine (CID 3777900) is 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine is COCCOc1cc(C)nc(N)n1.
What is the InChIKey of 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine?
The InChIKey is VCJHOFUOIQHNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6-5-7(11-8(9)10-6)13-4-3-12-2/h5H,3-4H2,1-2H3,(H2,9,10,11).
What are the key properties of 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine?
4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine has a molecular weight of 183.21 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 3777900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).