2-(methoxymethyl)-N-methyl-6-phenylpyrimidin-4-amine

C13H15N3O — CID 62190343

IUPAC2-(methoxymethyl)-N-methyl-6-phenylpyrimidin-4-amine
SMILESCNc1cc(-c2ccccc2)nc(COC)n1
InChIInChI=1S/C13H15N3O/c1-14-12-8-11(10-6-4-3-5-7-10)15-13(16-12)9-17-2/h3-8H,9H2,1-2H3,(H,14,15,16)
InChIKeyYXMSTFVGARWRAE-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.33
Rot. Bonds4

About 2-(methoxymethyl)-N-methyl-6-phenylpyrimidin-4-amine

2-(methoxymethyl)-N-methyl-6-phenylpyrimidin-4-amine (PubChem CID 62190343) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-methyl-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N-methyl-6-phenylpyrimidin-4-amine
PubChem CID62190343
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(methoxymethyl)-N-methyl-6-phenylpyrimidin-4-amine
SMILESCNc1cc(-c2ccccc2)nc(COC)n1
InChIInChI=1S/C13H15N3O/c1-14-12-8-11(10-6-4-3-5-7-10)15-13(16-12)9-17-2/h3-8H,9H2,1-2H3,(H,14,15,16)
InChIKeyYXMSTFVGARWRAE-UHFFFAOYSA-N
XLogP2.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-methyl-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-N-methyl-6-phenylpyrimidin-4-amine (CID 62190343) is 2-(methoxymethyl)-N-methyl-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-N-methyl-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-N-methyl-6-phenylpyrimidin-4-amine is CNc1cc(-c2ccccc2)nc(COC)n1.
What is the InChIKey of 2-(methoxymethyl)-N-methyl-6-phenylpyrimidin-4-amine?
The InChIKey is YXMSTFVGARWRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-14-12-8-11(10-6-4-3-5-7-10)15-13(16-12)9-17-2/h3-8H,9H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(methoxymethyl)-N-methyl-6-phenylpyrimidin-4-amine?
2-(methoxymethyl)-N-methyl-6-phenylpyrimidin-4-amine has a molecular weight of 229.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-methyl-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 62190343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).