6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine

C₁₄H₂₄N₄O — CID 82736485

About 6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine

6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 82736485) has the molecular formula C₁₄H₂₄N₄O and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

• Compound Name: 6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
• PubChem CID: 82736485
• Molecular Formula: C₁₄H₂₄N₄O
• Molecular Weight: 264.37 g/mol
• Exact Mass: 264.20
• IUPAC Name: 6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
• SMILES: CCNc1cc(NC2CCOC2C)nc(C(C)C)n1
• InChI: InChI=1S/C14H24N4O/c1-5-15-12-8-13(18-14(17-12)9(2)3)16-11-6-7-19-10(11)4/h8-11H,5-7H2,1-4H3,(H2,15,16,17,18)
• InChIKey: ABMYQESQXOKRMT-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 59.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	264.37
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine?

The IUPAC name of 6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 82736485) is 6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine.

What is the SMILES notation for 6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine?

The canonical SMILES for 6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1cc(NC2CCOC2C)nc(C(C)C)n1.

What is the InChIKey of 6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine?

The InChIKey is ABMYQESQXOKRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-5-15-12-8-13(18-14(17-12)9(2)3)16-11-6-7-19-10(11)4/h8-11H,5-7H2,1-4H3,(H2,15,16,17,18).

What are the key properties of 6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine?

6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 264.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 82736485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 82736485 — identifiers, structure, computed properties (public domain)

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