2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine

C₁₁H₁₆N₆O — CID 113401557

About 2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine

2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine (PubChem CID 113401557) has the molecular formula C₁₁H₁₆N₆O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

• Compound Name: 2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine
• PubChem CID: 113401557
• Molecular Formula: C₁₁H₁₆N₆O
• Molecular Weight: 248.29 g/mol
• Exact Mass: 248.14
• IUPAC Name: 2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine
• SMILES: CNc1cc(Nc2ccn(C)n2)nc(COC)n1
• InChI: InChI=1S/C11H16N6O/c1-12-9-6-10(15-11(14-9)7-18-3)13-8-4-5-17(2)16-8/h4-6H,7H2,1-3H3,(H2,12,13,14,15,16)
• InChIKey: XJNFMSGOGTZKOQ-UHFFFAOYSA-N
• XLogP: 1.14
• TPSA: 76.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	248.29
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine?

The IUPAC name of 2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine (CID 113401557) is 2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine.

What is the SMILES notation for 2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine?

The canonical SMILES for 2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine is CNc1cc(Nc2ccn(C)n2)nc(COC)n1.

What is the InChIKey of 2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine?

The InChIKey is XJNFMSGOGTZKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-12-9-6-10(15-11(14-9)7-18-3)13-8-4-5-17(2)16-8/h4-6H,7H2,1-3H3,(H2,12,13,14,15,16).

What are the key properties of 2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine?

2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine has a molecular weight of 248.29 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 113401557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 113401557 — identifiers, structure, computed properties (public domain)

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