6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine

C15H24N6 — CID 82873932

About 6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine

6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 82873932) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

• Compound Name: 6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
• PubChem CID: 82873932
• Molecular Formula: C15H24N6
• Molecular Weight: 288.40 g/mol
• Exact Mass: 288.21
• IUPAC Name: 6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
• SMILES: CCNc1nc(C(C)C)nc(NCc2ccn(C)n2)c1C
• InChI: InChI=1S/C15H24N6/c1-6-16-14-11(4)15(19-13(18-14)10(2)3)17-9-12-7-8-21(5)20-12/h7-8,10H,6,9H2,1-5H3,(H2,16,17,18,19)
• InChIKey: KNFROEMRCOMFLP-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 67.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.40
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?

The IUPAC name of 6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (CID 82873932) is 6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.

What is the SMILES notation for 6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?

The canonical SMILES for 6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1nc(C(C)C)nc(NCc2ccn(C)n2)c1C.

What is the InChIKey of 6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?

The InChIKey is KNFROEMRCOMFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-6-16-14-11(4)15(19-13(18-14)10(2)3)17-9-12-7-8-21(5)20-12/h7-8,10H,6,9H2,1-5H3,(H2,16,17,18,19).

What are the key properties of 6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?

6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 288.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 82873932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).