N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine

C₁₇H₂₂N₄ — CID 117211923

About N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine

N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 117211923) has the molecular formula C₁₇H₂₂N₄ and a molecular weight of 282.39 g/mol. Its IUPAC name is N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

• Compound Name: N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
• PubChem CID: 117211923
• Molecular Formula: C₁₇H₂₂N₄
• Molecular Weight: 282.39 g/mol
• Exact Mass: 282.18
• IUPAC Name: N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
• SMILES: Cc1ccc(-c2nc(C3CCC3)ncc2NCCN)cc1
• InChI: InChI=1S/C17H22N4/c1-12-5-7-13(8-6-12)16-15(19-10-9-18)11-20-17(21-16)14-3-2-4-14/h5-8,11,14,19H,2-4,9-10,18H2,1H3
• InChIKey: GCWZZFUONJPWAL-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 63.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.39
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine?

The IUPAC name of N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine (CID 117211923) is N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine.

What is the SMILES notation for N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine?

The canonical SMILES for N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine is Cc1ccc(-c2nc(C3CCC3)ncc2NCCN)cc1.

What is the InChIKey of N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine?

The InChIKey is GCWZZFUONJPWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-12-5-7-13(8-6-12)16-15(19-10-9-18)11-20-17(21-16)14-3-2-4-14/h5-8,11,14,19H,2-4,9-10,18H2,1H3.

What are the key properties of N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine?

N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 117211923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 117211923 — identifiers, structure, computed properties (public domain)

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